SCHEMBL8409291

SCHEMBL8409291

Cc1nccn1-c1ccc(COc2cc(F)cc(NC(=S)C3CCOCC3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.57
F10 P00742 6/20 0.38
F2 P00734 2/20 0.38
ELANE P08246 1/20 0.38
NR3C2 P08235 2/20 0.38
GRM5 P41594 1/20 0.37
MAPK14 Q16539 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PORCN Q9H237 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL8409250 0.90 ALOX5 (0.62) ALOX5F10F2ELANE
Hydrochloric Acid SCHEMBL8411350 0.89 ALOX5 (0.61) ALOX5F10F2ELANE
SCHEMBL8412085 0.82 ALOX5 (0.55) ALOX5F10F2ELANE
SCHEMBL8411616 0.81 ALOX5 (0.55) ALOX5F10F2ELANE
SCHEMBL8408963 0.80 ALOX5 (0.55) ALOX5F10F2ELANENR3C2
SCHEMBL8783922 0.76 ALOX5 (0.80) ALOX5
SCHEMBL8413218 0.76 ALOX5 (0.53) ALOX5F10F2ELANE
SCHEMBL8173880 0.75 ALOX5 (0.84) ALOX5
SCHEMBL8409241 0.73 ALOX5 (0.55) ALOX5NR3C2GRM5CYP3A4CYP2D6
SCHEMBL8172966 0.73 ALOX5 (0.60) ALOX5NR3C2GRM5MCHR1

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-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed