SCHEMBL3712461

SCHEMBL3712461

CCOC(=O)Cc1cc2cc(C#N)ccc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
IDH1 O75874 7/20 0.46
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM1 Q13255 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
ALK Q9UM73 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7076515 0.83 KDM4E (0.54) KDM4EALDH1A1HSD17B10KMT2ATDP1
SCHEMBL3719538 0.82 IDH1 (0.50) KDM4EALDH1A1HSD17B10IDH1
SCHEMBL3714361 0.81 KDM4E (0.50) KDM4EALDH1A1HSD17B10IDH1KMT2A
SCHEMBL3708482 0.79 KDM4E (0.47) KDM4EALDH1A1HSD17B10IDH1KMT2A
SCHEMBL3709499 0.78 IDH1 (0.49) KDM4EALDH1A1HSD17B10IDH1KMT2A
SCHEMBL15752905 0.78 PDCD1 (0.45) KDM4EALDH1A1TDP1HPGDALK
SCHEMBL30088492 0.78 PDCD1 (0.45) KDM4EALDH1A1TDP1HPGDALK
SCHEMBL12301250 0.78 KDM4E (0.52) KDM4EALDH1A1HSD17B10KMT2ATDP1
SCHEMBL1420627 0.77 ALOX15 (0.43) KDM4EALDH1A1HSD17B10KMT2ALMNA
SCHEMBL1420412 0.76 KDM4E (0.68) KDM4EALDH1A1HSD17B10KMT2ALMNA

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-2393806-A1 INHIBITORS OF JUN N-TERMINAL KINASE Elan Pharmaceuticals Inc. (US) 2011-12-14 EP disclosed
WO-2010091310-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed