SCHEMBL8986853

SCHEMBL8986853

CNn1cnc2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ USP5 P45974 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL27712494 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL30553026 0.79 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL122167 0.76 ACVR1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL29723028 0.76 ACVR1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL3563360 0.74 KMT2A (0.80) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL1488096 0.73 TDP1 (0.48) SMN1; SMN2KMT2ACYP1A2LMNAPOLB
SCHEMBL3636921 0.73 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL9689671 0.72 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2KMT2ACYP1A2CYP2C9
SCHEMBL6972582 0.72 KDM4E (0.54) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL16181504 0.72 KDM4E (0.54) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2

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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