SCHEMBL5956933

SCHEMBL5956933

C#Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.58
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
BLM P54132 1/20 0.47
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.38
KLKB1 P03952 1/20 0.38
HPGDS O60760 1/20 0.37

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
SCHEMBL5956923 0.97 F10 (0.57) F10KMT2AMEN1SMN1; SMN2POLB
SCHEMBL5956976 0.87 F10 (0.45) F10KMT2AMEN1SMN1; SMN2POLB
SCHEMBL5956981 0.86 F10 (0.79) F10MAPT
SCHEMBL3828915 0.85 F10 (0.73) F10KMT2AMEN1POLBMAPT
SCHEMBL5956966 0.84 F10 (0.44) F10KMT2AMEN1POLBALDH1A1
SCHEMBL5956860 0.83 F10 (0.61) F10KMT2AMEN1SMN1; SMN2POLB
SCHEMBL5956942 0.80 F10 (0.49) F10KMT2AMEN1KLKB1
SCHEMBL76312 0.77 F10 (0.65) F10KMT2AMEN1POLBMAPT
SCHEMBL5956961 0.77 F10 (0.64) F10KLKB1
SCHEMBL77682 0.77 F10 (0.84) F10SMN1; SMN2POLBMAPTKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633346-B1 PYRROLIDIN-1, 2- DICARBOXYLIC ACID- 1- (4- ETHINYL- PHENYL) - AMID|- 2- (PHENYL)- AMID| DERIVATIVE AS INHIBITORS OF COAGULATION FACTOR XA AND VIIA FOR THE TREATMENT OF THROMBOSIS MERCK PATENT GMBH (DE) 2006-08-23 EP claimed