SCHEMBL7412828

SCHEMBL7412828

Sc1ccc(-c2cccnc2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.59
PTGS1 P23219 1/20 0.59
FEN1 P39748 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPRC P08575 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
PTPN13 Q12923 1/20 0.40
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
PAX8 Q06710 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 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
SCHEMBL37278 0.88 PTGS2 (0.66) PTGS2PTGS1FEN1ALDH1A1HTT
Ammonia Solution, Strong SCHEMBL20599554 0.86 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL30021842 0.86 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL29227428 0.86 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL3344343 0.86 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT
Phosphine SCHEMBL29108837 0.86 PTGS2 (0.64) PTGS2PTGS1FEN1ALDH1A1HTT
Hydrazine SCHEMBL29197518 0.84 PTGS2 (0.62) PTGS2PTGS1FEN1ALDH1A1HTT
Pyrazine SCHEMBL28393900 0.82 PTGS2 (0.60) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL21692150 0.82 PTGS1 (0.58) PTGS2PTGS1FEN1ALDH1A1HTT
SCHEMBL7647031 0.82 PTGS2 (0.58) PTGS2PTGS1FEN1ALDH1A1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140179-A2 USE OF A CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO claimed