SCHEMBL11301348

SCHEMBL11301348

CC(O)=C(C#N)C(=O)Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MAPK10 P53779 1/20 0.43
CTBP2 P56545 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL11301345 1.00 TP53 (0.43) TP53MAPK10CTBP2TDP1POLB
SCHEMBL11297351 0.84 ALDH1A1 (0.43) CTBP2TDP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL11297353 0.84 ALDH1A1 (0.43) CTBP2TDP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL11298311 0.83 ALDH1A1 (0.42) CTBP2TDP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL11298312 0.83 ALDH1A1 (0.42) CTBP2TDP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL11299981 0.82 MAOB (0.46) MAPK10GAARAB9AKMT2AKDM4E
SCHEMBL11299966 0.82 MAOB (0.46) MAPK10GAARAB9AKMT2AKDM4E
SCHEMBL11301938 0.77 TSHR (0.44) SMN1; SMN2HTTKMT2AMAOB
SCHEMBL11301936 0.77 TSHR (0.44) SMN1; SMN2HTTKMT2AMAOB
SCHEMBL11298293 0.75 ALDH1A1 (0.46) GAASMN1; SMN2ALDH1A1RAB9ALMNA

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-4254048-A ANTIINFLAMMATORY AGENTS; FOR ARTHRITIS AMERICAN CYANAMID COMPANY (US) 1981-03-03 US claimed