SCHEMBL8986897

SCHEMBL8986897

O=C(Nc1ccc(Br)cc1)Nn1cnc2c(O)cccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ FPR2 P25090 7/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GOT1 P17174 1/20 0.38

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
SCHEMBL8986829 0.88 PLA2G7 (0.44) KMT2ACA12CA1CA2CA9
SCHEMBL8986885 0.85 POLB (0.47) KMT2APOLBRAB9A
Acetic Acid SCHEMBL8986878 0.84 PLA2G7 (0.41) KMT2APOLBFPR2MEN1GBA1
SCHEMBL8986883 0.83 KMT2A (0.70) KMT2APOLBMEN1RAB9A
SCHEMBL8986882 0.79 ALDH1A1 (0.46) KMT2AMEN1RAB9A
SCHEMBL8986861 0.74 TRPA1 (0.52) KMT2APOLBMEN1RAB9A
SCHEMBL8986849 0.74 SMN1; SMN2 (0.54) KMT2APOLBMEN1RAB9A
SCHEMBL8986884 0.73 TRPA1 (0.42) KMT2APOLBMEN1RAB9A
SCHEMBL8986858 0.71 SMN1; SMN2 (0.53) KMT2APOLBMEN1RAB9A
SCHEMBL8986845 0.71 SMN1; SMN2 (0.59) KMT2APOLBMEN1RAB9A

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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