SCHEMBL8986885

SCHEMBL8986885

COc1cccc2c(=O)n(NC(=O)Nc3ccc(Br)cc3)cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ KDR P35968 7/20 0.46
▸ EGFR P00533 2/20 0.46
▸ KIT P10721 2/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TRPA1 O75762 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPSE Q9Y251 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ FPR1 P21462 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDGFRB P09619 1/20 0.40

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
SCHEMBL8986861 0.89 TRPA1 (0.52) POLBNPC1KDRKMT2AALDH1A1
SCHEMBL8986897 0.85 KMT2A (0.48) POLBKMT2ARAB9A
SCHEMBL8986884 0.79 TRPA1 (0.42) POLBNPC1KMT2AALDH1A1TRPA1
SCHEMBL8986883 0.78 KMT2A (0.70) POLBNPC1KMT2AALDH1A1MAPT
SCHEMBL8986829 0.74 PLA2G7 (0.44) NPC1KDRKMT2AALDH1A1MAPT
Acetic Acid SCHEMBL8986878 0.73 PLA2G7 (0.41) POLBNPC1KMT2AALDH1A1MAPT
SCHEMBL8986852 0.69 SMN1; SMN2 (0.58) POLBNPC1KMT2AALDH1A1MAPT
SCHEMBL11406650 0.68 TRPA1 (0.45) POLBNPC1EGFRTRPA1
SCHEMBL11406646 0.68 TRPA1 (0.45) POLBNPC1EGFRTRPA1
SCHEMBL23231088 0.68 HTR1A (0.48) ALDH1A1TRPA1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572782-B1 1-Aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)-urea fungicidal agents AMERICAN CYANAMID CO (US) 1996-06-26 — — EP disclosed
US-5354755-A Agricultural uses AMERICAN CYANAMID COMPANY (US) 1994-10-11 — — US disclosed
US-5276038-A 1-aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)urea fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-01-04 — — US disclosed
EP-0572782-A1 1-Aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)-urea fungicidal agents AMERICAN CYANAMID COMPANY (US) 1993-12-08 — — EP disclosed
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