SCHEMBL11275396

SCHEMBL11275396

Cc1c(/C=C/C#N)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ERN1 O75460 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
GPR35 Q9HC97 1/20 0.38
SOS1 Q07889 1/20 0.38

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
SCHEMBL11275399 1.00 TDP1 (0.55) TDP1TSHRSMN1; SMN2ERN1HSD17B10
SCHEMBL27642032 0.87 TDP1 (0.44) TDP1TSHRSMN1; SMN2ERN1HSD17B10
SCHEMBL27641952 0.87 TDP1 (0.44) TDP1TSHRSMN1; SMN2ERN1HSD17B10
SCHEMBL10975917 0.85 TDP1 (0.69) TDP1TSHRSMN1; SMN2ERN1HSD17B10
SCHEMBL10975921 0.85 TDP1 (0.69) TDP1TSHRSMN1; SMN2ERN1HSD17B10
SCHEMBL27780521 0.83 MAPT (0.56) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL1343573 0.83 MAPT (0.56) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL1343574 0.83 MAPT (0.56) SMN1; SMN2MAPTALDH1A1KMT2ARAB9A
SCHEMBL6786004 0.81 ERN1 (0.61) SMN1; SMN2ERN1MAPTALDH1A1KMT2A
SCHEMBL6786002 0.81 ERN1 (0.61) SMN1; SMN2ERN1MAPTALDH1A1KMT2A

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-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 US disclosed