SCHEMBL7448276

SCHEMBL7448276

COC(=O)[C@H](CN)NC(=O)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 3/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
CASP3 P42574 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
XBP1 P17861 1/20 0.44
ANPEP P15144 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL7448273 1.00 CA12 (0.53) CA12CA1CA2CA9MAPT
SCHEMBL8093954 0.84 FOLH1 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL18083043 0.81 CA12 (0.71) CA12CA1CA2CA9KMT2A
SCHEMBL30872995 0.74 CA12 (0.61) CA12CA1CA2CA9KMT2A
SCHEMBL21141315 0.74 RAB9A (0.56) CA12CA1CA2CA9MAPT
SCHEMBL17049554 0.73 CA12 (0.60) CA12CA1CA2CA9MAPT
SCHEMBL4600141 0.72 FOLH1 (0.63) CA1CA2FPR2
SCHEMBL4600137 0.72 FOLH1 (0.63) CA1CA2FPR2
SCHEMBL10628944 0.72 GAA (0.54) CA12CA1CA2CA9MEN1
SCHEMBL10743003 0.71 CA12 (0.58) CA12CA1CA2CA9MEN1

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
WO-1999020606-A2 PIPERIDINES AND PIPERAZINES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1999-04-29 WO disclosed
WO-1998046599-A1 NOVEL CARBOXAMIDES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1998-10-22 WO disclosed