SCHEMBL9486287

SCHEMBL9486287

Cc1ccc(-c2ccccc2)c(CC#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTR7 P34969 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GALR3 O60755 1/20 0.40
GAA P10253 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL13385994 0.81 LMNA (0.44) DPP4HPGDALDH1A1PDCD1CD274
SCHEMBL29018975 0.81 MMP3 (0.44) DPP4KDM4EHPGDALDH1A1KMT2A
SCHEMBL7013171 0.80 HTR7 (0.42) DPP4CA12CA1CA2CA7
SCHEMBL28393638 0.79 ALOX5 (0.53) DPP4HPGDALDH1A1ADORA1MEN1
SCHEMBL15456146 0.79 ADRA2C (0.45) HTR7HPGDALDH1A1PDCD1CD274
SCHEMBL1343377 0.79 DPP4 (0.56) DPP4HTR7HPGDALDH1A1PDCD1
SCHEMBL9485214 0.78 PDCD1 (0.53) DPP4CA12CA1CA2CA7
SCHEMBL18569389 0.78 PTGDR2 (0.46) DPP4CA12CA1CA2CA7
SCHEMBL10092813 0.77 HDAC7 (0.41) DPP4CA12CA1CA2CA7
SCHEMBL3786898 0.77 DPP4 (0.59) DPP4CA12CA1CA2CA7

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-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed