SCHEMBL5956892

SCHEMBL5956892

C#Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.42
F10 P00742 2/20 0.41
KLKB1 P03952 1/20 0.39
NOTUM Q6P988 3/20 0.39
KMT2A Q03164 1/20 0.38
TRIM24 O15164 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 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
SCHEMBL12371428 0.79 ROCK2 (0.37) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL5956976 0.79 F10 (0.45) SMN1; SMN2LMNAF10KLKB1KMT2A
SCHEMBL5956966 0.78 F10 (0.44) LMNAF10KLKB1KMT2APOLB
SCHEMBL5956956 0.75 F10 (0.61) F10KMT2APOLB
SCHEMBL5956933 0.75 F10 (0.58) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL5956923 0.74 F10 (0.57) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL12371426 0.74 MEN1 (0.53) MAPTNPC1RAB9ALMNAF10
SCHEMBL8471194 0.74 MEN1 (0.53) MAPTNPC1RAB9ALMNAF10
SCHEMBL8470830 0.74 F10 (0.57) MAPTF10KLKB1KMT2APOLB
SCHEMBL12371425 0.74 F10 (0.57) MAPTF10KLKB1KMT2APOLB

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