SCHEMBL8986851

SCHEMBL8986851

O=c1c2ccccc2ncn1NC(=S)Nc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.65
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL8986855 0.88 SMN1; SMN2 (0.55) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8986883 0.86 KMT2A (0.70) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8986849 0.75 SMN1; SMN2 (0.54) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8986852 0.74 SMN1; SMN2 (0.58) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8986858 0.74 SMN1; SMN2 (0.53) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8986845 0.74 SMN1; SMN2 (0.59) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL27712494 0.72 NPC1 (0.67) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8986865 0.71 KMT2A (0.53) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8986838 0.71 NPC1 (0.62) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8986860 0.71 L3MBTL1 (0.72) KMT2ARAB9ASMN1; SMN2NPC1ALDH1A1

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 3 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
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