SCHEMBL8166281

SCHEMBL8166281

Cc1nccn1-c1ccc(Sc2cccc([C@@]3(C#N)CCO[C@H](C)C3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.55
PIK3CD O00329 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL8172193 1.00 ALOX5 (0.55) ALOX5PIK3CDALDH1A1MGAMGAA
SCHEMBL7802711 1.00 ALOX5 (0.55) ALOX5PIK3CDALDH1A1MGAMGAA
SCHEMBL6571511 0.87 ALOX5 (0.68) ALOX5PIK3CDALDH1A1MGAMGAA
SCHEMBL8034728 0.83 ALOX5 (0.69) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7807543 0.81 ALOX5 (0.78) ALOX5ALDH1A1MGAMGAASI
SCHEMBL8781493 0.81 ALOX5 (0.78) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7807539 0.81 ALOX5 (0.78) ALOX5ALDH1A1MGAMGAASI
SCHEMBL333240 0.79 ALOX5 (0.43) ALOX5PIK3CD
SCHEMBL7807425 0.75 ALOX5 (0.54) ALOX5PIK3CDALDH1A1MGAMGAA
SCHEMBL332729 0.74 ALOX5 (0.32) ALOX5PIK3CD

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-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed