SCHEMBL7675404

SCHEMBL7675404

CC(c1ccccc1)c1cc(C(N)=O)c(NC(=O)C2CCc3ccccc3C2)s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
GHSR Q92847 1/20 0.42
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK10 P53779 2/20 0.37
IKBKB O14920 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35

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
SCHEMBL7675407 0.81 MAPK1 (0.45) MAPK1GFERKDM4EMAPTIKBKB
SCHEMBL7675292 0.80 MAPK1 (0.56) MAPK1GFERMAPK10
SCHEMBL7674136 0.80 MAPK1 (0.43) MAPK1GFERKDM4EMAPTMAPK10
SCHEMBL5093025 0.78 IKBKB (0.57) MAPK1GFERKDM4EMAPTIKBKB
SCHEMBL7674134 0.78 MAPK1 (0.44) MAPK1GFERKDM4EMAPTIKBKB
SCHEMBL7670987 0.76 MAPK1 (0.45) MAPK1GFERKDM4EMAPTIKBKB
SCHEMBL7005038 0.73 HDAC1 (0.46) MAPK1GFERKDM4EMAPTIKBKB
SCHEMBL7672756 0.73 KDM4E (0.40) MAPK1GFERKDM4EMAPTMAPK10
SCHEMBL7676277 0.72 KDM4E (0.50) MAPK1GFERP2RX7KDM4EMAPT
SCHEMBL7675378 0.72 KDM4E (0.49) MAPK1GFERKDM4EMAPTIKBKB

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-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed