SCHEMBL3900423

SCHEMBL3900423

CN(C)C(=O)c1ccc(C(=O)N[C@@H](COc2cc(C#N)ccc2I)CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
PIN1 Q13526 1/20 0.41
CDK1 P06493 1/20 0.37
MAP4K4 O95819 2/20 0.37
MINK1 Q8N4C8 2/20 0.37
TNIK Q9UKE5 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CDK8 P49336 2/20 0.35
PRSS1 P07477 2/20 0.34
CTSG P08311 2/20 0.34
CTRB1 P17538 2/20 0.34
CMA1 P23946 2/20 0.34
ACACB O00763 1/20 0.34
CYP19A1 P11511 1/20 0.34
CTSA P10619 1/20 0.34
PDK1 Q15118 1/20 0.33

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
SCHEMBL3902611 0.91 F10 (0.47) F10PIN1MAP4K4MINK1TNIK
SCHEMBL3907511 0.83 F10 (0.58) F10PIN1MAP4K4MINK1TNIK
SCHEMBL3907814 0.83 F10 (0.41) F10PIN1CDK1MEN1KMT2A
SCHEMBL3900453 0.79 AAK1 (0.48)
SCHEMBL3900535 0.78 NPC1 (0.43) CDK1TMEM97SIGMAR1
SCHEMBL3901279 0.74 F10 (0.65) F10PIN1MAP4K4MINK1TNIK
SCHEMBL3895734 0.74 F10 (0.65) F10PIN1MAP4K4MINK1TNIK
SCHEMBL3898251 0.71 PIN1 (0.45) F10PIN1ACACBCYP19A1
SCHEMBL14131785 0.71 F10 (0.83) F10PRSS1
SCHEMBL3896589 0.70 F10 (0.66) F10PRSS1

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
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed