SCHEMBL7100560

SCHEMBL7100560

Cc1ccccc1C(C)OC(=O)c1cc2c(=O)n(Cc3ccccc3)c(=O)n(C)c2s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 3/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6730154 0.89 TRPA1 (0.43) TRPA1KDM4EMAPTUSP2ALDH1A1
SCHEMBL6730309 0.88 KMT2A (0.42) TRPA1KDM4EMAPTUSP2ALDH1A1
SCHEMBL6727645 0.85 TRPA1 (0.40) TRPA1KDM4EMAPTUSP2ALDH1A1
SCHEMBL6736766 0.85 TRPA1 (0.41) TRPA1KDM4EMAPTUSP2ALDH1A1
SCHEMBL6724877 0.83 KMT2A (0.45) TRPA1KDM4EKMT2ASMN1; SMN2TP53
SCHEMBL6529705 0.82 TSHR (0.53) TRPA1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL6724911 0.82 KMT2A (0.42) TRPA1KDM4EMAPTUSP2ALDH1A1
SCHEMBL6235401 0.82 KDM4E (0.54) TRPA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6724731 0.82 TRPA1 (0.41) TRPA1KDM4EMAPTALDH1A1HPGD
SCHEMBL6735401 0.82 TRPA1 (0.42) TRPA1KDM4EMAPTALDH1A1HPGD

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
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed