SCHEMBL8949364

SCHEMBL8949364

CN(c1cccc(C(=O)O)c1)c1ccc(-c2ccc(C(=N)N)cc2)nn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.41
F2 P00734 5/20 0.41
PLAU P00749 1/20 0.39
NQO2 P16083 8/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
WDR5 P61964 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35

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
Hydrochloric Acid SCHEMBL8949008 0.87 F10 (0.39) F10F2PLAURAB9ASMN1; SMN2
SCHEMBL397363 0.70 WDR5 (0.56) F10F2PLAUNQO2PKM
SCHEMBL8949121 0.70 TMPRSS15 (0.45) NQO2NPC1USP2TP53PKM
SCHEMBL8949306 0.70 ITGB3 (0.46) F10F2NQO2NPC1USP2
SCHEMBL8949315 0.70 ITGB3 (0.46) F10F2NQO2NPC1USP2
SCHEMBL8949088 0.69 TMPRSS15 (0.44)
SCHEMBL8949052 0.67 ITGB3 (0.48)
SCHEMBL4642703 0.67 KMO (0.50) NPC1RAB9A
SCHEMBL431391 0.65 PRSS1 (0.59) F10F2PKM
SCHEMBL29129885 0.65 TP53 (0.57) NPC1TP53RAB9ASMN1; SMN2

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
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed