SCHEMBL13980997

SCHEMBL13980997

CC(=O)Cn1cc(C#N)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.76
POLB P06746 1/20 0.72
MAPT P10636 3/20 0.69
ALDH1A1 P00352 7/20 0.66
KMT2A Q03164 3/20 0.66
PKM P14618 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GALR3 O60755 1/20 0.53
RAB9A P51151 1/20 0.53
IMPDH2 P12268 1/20 0.53

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
SCHEMBL14884740 0.86 STAT3 (1.00) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL10203639 0.85 STAT3 (0.72) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL10165364 0.85 STAT3 (0.72) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL1521245 0.85 STAT3 (0.76) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL26694396 0.84 POLB (0.71) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL16234643 0.81 STAT3 (0.50) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL2187853 0.79 STAT3 (0.67) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL7292220 0.79 ALDH1A1 (0.66) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL8530610 0.78 KMT2A (0.69) STAT3POLBMAPTALDH1A1KMT2A
SCHEMBL8530608 0.76 KMT2A (0.48) STAT3POLBMAPTALDH1A1KMT2A

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
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
WO-2008147797-A2 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-04 WO disclosed