SCHEMBL7703460

SCHEMBL7703460

CSCC[C@H](NC(=O)c1ccc(C=C(c2ccccc2)C(C)n2ccnc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.49
FNTB P49356 9/20 0.49
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP24A1 Q07973 1/20 0.42

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
SCHEMBL7703456 1.00 FNTA (0.49) FNTAFNTBCA2CA1CA12
SCHEMBL7711870 0.79 TBXA2R (0.45) CYP24A1
SCHEMBL7711873 0.79 TBXA2R (0.45) CYP24A1
SCHEMBL8199503 0.78 CA2 (0.46) FNTAFNTBCA2CA1CA12
SCHEMBL9461939 0.75 CA2 (0.69) FNTAFNTBCA2CA1CA12
SCHEMBL1158033 0.75 CA2 (0.69) FNTAFNTBCA2CA1CA12
SCHEMBL1158031 0.75 CA2 (0.69) FNTAFNTBCA2CA1CA12
SCHEMBL7703375 0.75 FNTA (0.45) FNTAFNTBCA2CA1CA12
SCHEMBL8617640 0.75 FNTA (0.45) FNTAFNTBCA2CA1CA12
SCHEMBL7703378 0.75 FNTA (0.45) FNTAFNTBCA2CA1CA12

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
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed