SCHEMBL6600796

SCHEMBL6600796

Clc1ccc(-c2nc(-c3cc[c]cc3)sc2-c2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK14 Q16539 2/20 0.43
ALOX5 P09917 1/20 0.43
CDC7 O00311 6/20 0.43
DBF4 Q9UBU7 6/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IDO1 P14902 3/20 0.42
TDO2 P48775 3/20 0.42
MAPT P10636 1/20 0.41
MAPK13 O15264 1/20 0.40

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
SCHEMBL15690382 0.84 PTGS2 (0.50) PTGS2KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL6286367 0.82 PTGS2 (0.48) PTGS2KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL6286370 0.81 MEN1 (0.50) PTGS2KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL6505966 0.81 PTGS2 (0.50) PTGS2KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL6605134 0.80 MAPK14 (0.53) PTGS2MAPK14CDC7DBF4IDO1
SCHEMBL6279375 0.79 PTGS2 (0.54) PTGS2KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL6280962 0.79 PTGS2 (0.48) PTGS2KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL6503233 0.79 PTGS2 (0.78) PTGS2MAPK14
SCHEMBL6502554 0.79 PTGS2 (0.51) PTGS2KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL15688673 0.79 PTGS2 (0.65) PTGS2MAPK14CDC7DBF4CCNE1

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
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed