SCHEMBL431920

SCHEMBL431920

Cc1c(N)ccc(N=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
PIK3CA P42336 1/20 0.40
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31

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
Hydrochloric Acid SCHEMBL4208174 0.98 CYP3A4 (0.39) CYP3A4TSHRPIK3CAALDH1A1KDM4E
SCHEMBL739126 0.87 CYP3A4 (0.45) CYP3A4TSHRPIK3CAALDH1A1KDM4E
Diphenylamine SCHEMBL6528579 0.84 ALDH1A1 (0.46) CYP3A4TSHRALDH1A1KDM4EGAA
SCHEMBL11298336 0.79 CYP3A4 (0.56) CYP3A4TSHRPIK3CAALDH1A1KDM4E
SCHEMBL11119368 0.76 CYP3A4 (0.40) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL29384787 0.76 CYP3A4 (0.62) CYP3A4TSHRPIK3CAALDH1A1KDM4E
SCHEMBL33944 0.76 CYP3A4 (0.62) CYP3A4TSHRPIK3CAALDH1A1KDM4E
SCHEMBL22145333 0.74 POLB (0.50) CYP3A4TSHRALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL529931 0.73 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL309540 0.73 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117844555-A Waterproof type flame-retardant hydraulic oil and preparation method thereof 辽宁海华科技股份有限公司 2024-04-09 CN claimed
CN-112409146-B Continuous preparation process of vanillin 南通亚香食品科技有限公司 2023-07-07 CN claimed
CN-112409146-A Continuous preparation process of vanillin 南通亚香食品科技有限公司 2021-02-26 CN claimed
CN-108689630-B Concrete crack resistance enhancing additive and preparation method thereof 广东龙腾建材科技有限公司 2020-11-24 CN claimed
CN-111747836-A Production process and reaction equipment for synthesizing vanillin from 4-methyl guaiacol 昆山亚香香料股份有限公司 2020-10-09 CN claimed
CN-107324125-B Building cable pay-off rack 江苏金佰纳建筑装配有限公司 2020-06-12 CN claimed
CN-107269854-B Stop valve for building pipeline 中机十院国际工程有限公司 2020-05-29 CN claimed
CN-106082782-B A kind of preparation method and application for desulfurization flyash energy-conserving and environment-protective construction material adhesive 徐州工程学院 2017-12-29 CN claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
US-5059662-A Method for producing ethylene copolymer RESENE PRODUCTS COMPANY (US) 1991-10-22 US claimed
JP-5336997-A None JP disclosed
JP-62025749-A None JP disclosed
CN-122075727-A Subcellular targeting drug delivery conjugate, preparation method, composition and application thereof 2026-05-26 CN disclosed
US-3954831-A OF ACRYLONITRILE HALCON INTERNATIONAL, INC. (US) 1976-05-04 US disclosed
US-3950370-A OF ACRYLONITRILE, METAL HALIDE-LEWIS BASE CATALYST HALCON INTERNATIONAL, INC. (US) 1976-04-13 US disclosed
US-3940350-A Moulding compositions based on unsaturated polyesters, copolymerisable vinyl monomers and cellulose esters BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed
US-3935239-A Process for producing aromatic α-diketones NEILAND OYAR YANOVICH 1976-01-27 US disclosed