SCHEMBL9008935

SCHEMBL9008935

O=c1cc(-c2cocn2)c2ccc(Sc3cc(F)cc(-c4ccc(F)cc4)c3)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.51
MLYCD O95822 1/20 0.39
PGR P06401 2/20 0.34
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.31
TPI1 P60174 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL9008944 0.83 ALOX5 (0.68) ALOX5PGRPARP1TPI1PARP2
SCHEMBL9008939 0.81 ALOX5 (0.67) ALOX5SMN1; SMN2CA12CA9
SCHEMBL9008946 0.78 ALOX5 (0.55) ALOX5PGRCA12CA9
SCHEMBL9008937 0.76 ALOX5 (0.67) ALOX5SMN1; SMN2PARP1TPI1PARP2
SCHEMBL15215912 0.75 ALOX5 (0.58) ALOX5CA12CA9
SCHEMBL9008978 0.73 ALOX5 (0.61) ALOX5SMN1; SMN2CA12CA9
SCHEMBL15215309 0.72 ALOX5 (0.87) ALOX5MLYCDCA12CA9
SCHEMBL9009222 0.72 ALOX5 (0.61) ALOX5PGRPARP1TPI1PARP2
SCHEMBL9008954 0.71 ALOX5 (0.59) ALOX5KDM4ESMN1; SMN2CA12CA9
SCHEMBL9008873 0.70 PIM1 (0.40) ARKDM4ESMN1; SMN2CA12CA9

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
US-5576338-A ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1996-11-19 US claimed
US-5576338-A ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1996-11-19 US disclosed