SCHEMBL7346771

SCHEMBL7346771

Nc1cccc([C]=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.42
CYP3A4 P08684 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL1161369 0.80 CYP3A4 (0.50) CD44CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL31172444 0.80 CYP3A4 (0.50) CD44CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL25504 0.79
SCHEMBL10885088 0.78 CYP3A4 (0.36) CD44CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL3356233 0.76 CD44 (0.50) CD44CYP3A4ALDH1A1TSHRTDP1
SCHEMBL3289851 0.76 MMP2 (0.47) CD44CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL9099850 0.76 ALDH1A1 (0.59) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL2183097 0.76 G6PD (0.47) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL7332288 0.76 CYP3A4 (0.56) CD44CYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL11689202 0.75 CD44 (0.42) CD44CYP3A4ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4937306-A For polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-06-26 US claimed
EP-0300366-A1 Non-fugitive aromatic diamine catalytic chain extenders AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-01-25 EP claimed
EP-0300349-A1 Non-fugitive diaminobenzoate catalytic chain extenders AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-01-25 EP claimed
CN-117377759-A Self-purified nucleic acid-encoded libraries 约尔格·谢尔曼 2024-01-09 CN disclosed
US-20230357757-A1 SELF-PURIFIED NUCLEIC ACID ENCODED LIBRARIES PETROV, DIMITAR (CH) 2023-11-09 US disclosed
CN-116715719-A Method for activating polypeptide/protein hydrazide by using 3-methylpyrazole and application of method in polypeptide/protein synthesis 华南理工大学 2023-09-08 CN disclosed
EP-4232578-A1 SELF-PURIFIED NUCLEIC ACID ENCODED LIBRARIES ETH Zurich (CH) 2023-08-30 EP disclosed
CN-115916183-A Topical compositions containing rofecoxib and methods of making and using the same 布里奥里生物技术公司 2023-04-04 CN disclosed
CN-115877658-A Curable photosensitive resin composition, cured product, resist pattern and method for producing same, semiconductor element, and electronic device 荒川化学工业株式会社 2023-03-31 CN disclosed
CN-115140903-A Process for co-treating industrial printing and dyeing wastewater by using activated carbon/chlorella 肖睿 2022-10-04 CN disclosed
WO-2022084486-A1 SELF-PURIFIED NUCLEIC ACID ENCODED LIBRARIES ETH ZURICH (CH) 2022-04-28 WO disclosed
CN-105712937-B A kind of compound and application thereof for treating metastatic tumo(u)r 河北宁格生物医药科技有限公司 2019-02-22 CN disclosed
EP-1124790-A1 BIODEGRADABLE NONIONIC CONTRAST MEDIA BIOPHYSICA, INC. (US) 2001-08-22 EP disclosed
US-6072069-A Biodegradable nonionic contrast media BIOPHYSICA, INC. (US) 2000-06-06 US disclosed
WO-2000026179-A1 BIODEGRADABLE NONIONIC CONTRAST MEDIA BIOPHYSICA INC (US) 2000-05-11 WO disclosed
US-5034426-A Reaction of polyisocyanate, polyol and a chain extender which is also a catalyst because of a tert-amine side chain AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-07-23 US disclosed
US-4937306-A For polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-06-26 US disclosed
EP-0300366-A1 Non-fugitive aromatic diamine catalytic chain extenders AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-01-25 EP disclosed
US-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
US-4284707-A Photocurable light-sensitive composition SOMAR MANUFACTURING CO., LTD. (JP) 1981-08-18 US disclosed