SCHEMBL8986845

SCHEMBL8986845

O=C(Nc1ccc(Cl)cc1)Nn1cnc2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ RAB9A P51151 6/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ L3MBTL1 Q9Y468 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 0.89 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8986858 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL8986883 0.88 KMT2A (0.70) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL8986852 0.88 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8986855 0.86 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL8986865 0.84 KMT2A (0.53) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL8986838 0.84 NPC1 (0.62) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL8986860 0.83 L3MBTL1 (0.72) SMN1; SMN2ALDH1A1MAPTHTTLMNA
SCHEMBL8986882 0.83 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL8986829 0.83 PLA2G7 (0.44) SMN1; SMN2ALDH1A1CYP1A2CYP3A4TSHR

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 5 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 claimed
US-5276038-A 1-aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)urea fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-01-04 — — US claimed
EP-0572782-A1 1-Aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)-urea fungicidal agents AMERICAN CYANAMID COMPANY (US) 1993-12-08 — — EP claimed
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
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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