SCHEMBL11301938

SCHEMBL11301938

CC(O)=C(C#N)C(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PIK3CA P42336 1/20 0.41
CA2 P00918 1/20 0.41
DHODH Q02127 6/20 0.40
KMT2A Q03164 2/20 0.40
HAO1 Q9UJM8 1/20 0.40
MAOB P27338 1/20 0.39
ALOX15 P16050 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL11301936 1.00 TSHR (0.44) TSHRPIK3CACA2DHODHKMT2A
SCHEMBL11297353 0.83 ALDH1A1 (0.43) TSHRPIK3CAKMT2AMAOBHTT
SCHEMBL11297351 0.83 ALDH1A1 (0.43) TSHRPIK3CAKMT2AMAOBHTT
SCHEMBL11298312 0.82 ALDH1A1 (0.42) TSHRPIK3CAKMT2AMAOBHTT
SCHEMBL11298311 0.82 ALDH1A1 (0.42) TSHRPIK3CAKMT2AMAOBHTT
SCHEMBL11303482 0.81 CTBP2 (0.49) PIK3CADHODHKMT2AMAOBHTT
SCHEMBL11303480 0.81 CTBP2 (0.49) PIK3CADHODHKMT2AMAOBHTT
SCHEMBL11301348 0.77 TP53 (0.43) KMT2AMAOBHTTSMN1; SMN2
SCHEMBL11301345 0.77 TP53 (0.43) KMT2AMAOBHTTSMN1; SMN2
SCHEMBL11305682 0.76 AKR1B1 (0.51) DHODHKMT2AMEN1MAPK1

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