SCHEMBL455161

SCHEMBL455161

Cc1cccc(N)c1CN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.52
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 3/20 0.46
PIK3CA P42336 1/20 0.46
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TAAR1 Q96RJ0 1/20 0.37
DPP4 P27487 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL394915 0.85 CYP1A2 (0.43) CD44CYP3A4TDP1TSHRALDH1A1
SCHEMBL3667054 0.83 CD44 (0.54) CD44CYP3A4TDP1TSHRPIK3CA
Hydrochloric Acid SCHEMBL6726928 0.82 CYP3A4 (0.42) CD44CYP3A4TDP1TSHRALDH1A1
SCHEMBL6344760 0.81 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL31606366 0.81 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL2009339 0.81 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL30417664 0.81 CD44 (0.52) CD44CYP3A4TDP1TSHRPIK3CA
Hydrochloric Acid SCHEMBL460781 0.79 CYP3A4 (0.43) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL8285847 0.79 CD44 (0.50) CD44CYP3A4TDP1TSHRPIK3CA
SCHEMBL20841387 0.79 CD44 (0.50) CD44CYP3A4TDP1TSHRPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 302 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040507-A DOPO-based compound, preparation method thereof, epoxy resin curing agent, flame retardant and flame-retardant epoxy resin composition 中国石油化工股份有限公司 2025-05-27 CN claimed
CN-119753866-A Functional modified regenerated cellulose fiber and preparation method and application thereof 浙江寻叶新材料科技有限公司 2025-04-04 CN claimed
CN-119677714-A Process for producing isocyanate composition and isocyanate composition 韩华思路信(株) 2025-03-21 CN claimed
CN-119114153-A Preparation method of molded Ru catalyst and continuous hydrogenation application 厦门嘉氢科技有限公司 2024-12-13 CN claimed
CN-117164453-B Cycloolefin dynamic cross-linked copolymer and preparation method and application thereof 上海交通大学 2024-11-26 CN claimed
CN-118988225-A Preparation device and method for cold mosaic metallographic resin with edge protection property 特鲁利(苏州)材料科技有限公司 2024-11-22 CN claimed
CN-118974133-A Two part room temperature curable heat and flame resistant composition 汉高股份有限及两合公司 2024-11-15 CN claimed
CN-118849578-A Preparation process of cheese bar packaging sheet 安徽紫金新材料科技股份有限公司 2024-10-29 CN claimed
CN-115819767-B Method for preparing sulfur-rich polymer by multi-component polymerization of alkene, sulfur and amine 常州大学 2024-10-01 CN claimed
CN-118630314-A High-stability ether electrolyte for sodium ion battery and preparation method thereof 珠海市裕洲环保科技有限公司 2024-09-10 CN claimed
CN-115020119-A Multilayer composite electrode and preparation method thereof 寰宇新材料科技(江苏)有限公司 2022-09-06 CN claimed
CN-113265218-B Elastic epoxy daub for tunnel segment caulking and preparation method thereof 卡本科技集团股份有限公司 2022-08-30 CN claimed
CN-114729224-A Michael addition hardening hybrid system for chemical fixation technology 费希尔厂有限责任两合公司 2022-07-08 CN claimed
CN-114230781-A Preparation method of low molecular weight polycarbonate polyether polyol with autocatalysis effect 河北工业大学 2022-03-25 CN claimed
EP-3377582-A1 COMPOSITION BASED ON AN AMORPHOUS POLYAMIDE HAVING IMPROVED DIMENSIONAL STABILITY Arkema France (FR) 2018-09-26 EP claimed
EP-1144494-A1 A HIGH BARRIER AMORPHOUS POLYAMIDE-CLAY NANOCOMPOSITE AND A PROCESS FOR PREPARING SAME EASTMAN CHEMICAL COMPANY (US) 2001-10-17 EP claimed
WO-2000034372-A1 A HIGH BARRIER AMORPHOUS POLYAMIDE-CLAY NANOCOMPOSITE AND A PROCESS FOR PREPARING SAME EASTMAN CHEMICAL COMPANY (US) 2000-06-15 WO claimed
EP-0866700-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-04-07 EP claimed
EP-0866700-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-30 EP claimed
WO-1997017958-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO claimed