SCHEMBL3243655

SCHEMBL3243655

CCC(CC)CNc1n[nH]c2c1CN(NC(=O)NC1CCCCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 5/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2924350 0.84 EPHX1 (0.39) EPHX1KDM4EALDH1A1EPHX2RAB9A
SCHEMBL3243651 0.82 EPHX1 (0.37) EPHX1KDM4EALDH1A1EPHX2RAB9A
SCHEMBL4565651 0.73 CCNA2 (0.31)
SCHEMBL2923876 0.73 AURKA (0.52) EPHX1ALDH1A1EPHX2RAB9A
SCHEMBL2924353 0.71 EPHX1 (0.40) EPHX1KDM4EALDH1A1EPHX2RAB9A
SCHEMBL16648548 0.60 EPHX1 (0.60) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL14424445 0.59 EPHX1 (0.68) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL13480593 0.58 EPHX1 (0.72) EPHX1KDM4EALDH1A1EPHX2RAB9A
SCHEMBL966655 0.58 EPHX1 (0.72) EPHX1KDM4EALDH1A1EPHX2RAB9A
SCHEMBL13480574 0.58 EPHX1 (0.72) EPHX1KDM4EALDH1A1EPHX2RAB9A

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-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed