SCHEMBL8986838

SCHEMBL8986838

COc1ccc(NC(=O)Nn2cnc3ccccc3c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.62
▸ RAB9A P51151 5/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ POLB P06746 1/20 0.58
▸ KMT2A Q03164 3/20 0.53
▸ TSHR P16473 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ IGF1R P08069 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL8986849 0.85 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8986845 0.84 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8986852 0.84 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8986858 0.84 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8986883 0.84 KMT2A (0.70) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL8986865 0.81 KMT2A (0.53) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL8986860 0.81 L3MBTL1 (0.72) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL9323081 0.80 NAMPT (0.49) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL9323136 0.79 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9321855 0.77 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2POLBKMT2A

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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