SCHEMBL9176347

SCHEMBL9176347

N=C(NC(=O)OCc1ccccc1)c1ccc(N2CCC(C(=O)N3CCC(CC(=O)O)CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
ALOX12 P18054 1/20 0.43
LMNA P02545 1/20 0.42
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.40
MASP2 O00187 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9174403 0.92 HTT (0.44) MAPTPKMALOX12LMNASMN1; SMN2
SCHEMBL9176287 0.87 LMNA (0.39) MAPTPKMALOX12LMNAITGB3
SCHEMBL9173038 0.85 TP53 (0.39) MAPTPKMALOX12LMNAITGB3
SCHEMBL9568095 0.82 TGM2 (0.48) LMNAITGB3ITGA2BSMN1; SMN2MASP2
SCHEMBL9174714 0.82 LMNA (0.42) MAPTPKMALOX12LMNASMN1; SMN2
SCHEMBL9176283 0.81 SMN1; SMN2 (0.40) MAPTPKMALOX12LMNASMN1; SMN2
SCHEMBL9174730 0.80 ALDH1A1 (0.43) MAPTLMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL9568155 0.78 MEN1 (0.48) MAPTLMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL9173102 0.78 MAPT (0.40) MAPTLMNAITGB3ITGA2BSMN1; SMN2
SCHEMBL9171504 0.77 ITGB3 (0.55) ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 US disclosed
EP-0592949-A2 N-(aminocarbonyl)-piperidines/pepirazines as aggregation inhibiting agents Dr. Karl Thomae GmbH (DE) 1994-04-20 EP disclosed