SCHEMBL8949307

SCHEMBL8949307

NCc1ccc(-c2ccc(C(=O)N3CCC(CC(=O)O)CC3)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
ATR Q13535 1/20 0.44
HTR2B P41595 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DGAT1 O75907 2/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
VNN1 O95497 1/20 0.40

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 SCHEMBL8949000 0.87 ATR (0.41) ATRHTR2BSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL8407165 0.85 SMN1; SMN2 (0.50) HTR2BSMN1; SMN2MEN1KMT2ACA12
SCHEMBL8949010 0.85 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL8949182 0.76 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL8949316 0.75 NPC1 (0.40) SMN1; SMN2NPC1RAB9ADGAT1TP53
SCHEMBL8949204 0.74 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8949114 0.74 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8863340 0.74 ITGB3 (0.61) SMN1; SMN2ITGB3ITGA2B
SCHEMBL8949136 0.73 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8410466 0.73 ITGB3 (0.60) SMN1; SMN2ITGB3ITGA2B

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