SCHEMBL7807422

SCHEMBL7807422

Cc1cc(C)n(-c2ccc(Sc3cccc(C4(C#N)CCOCC4)c3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.44
PIK3CD O00329 1/20 0.40
KDM4E B2RXH2 5/20 0.38
MAPT P10636 5/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL3570959 0.82 ALOX5 (0.47) ALOX5PIK3CDKMT2A
SCHEMBL3571404 0.82 ALOX5 (0.43) ALOX5PIK3CDKMT2A
SCHEMBL8173632 0.81 ALOX5 (0.67) ALOX5KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL7811821 0.81 ALOX5 (0.42) ALOX5PIK3CDKMT2A
SCHEMBL3568520 0.80 ALOX5 (0.43) ALOX5PIK3CDKMT2A
SCHEMBL3568405 0.80 ALOX5 (0.43) ALOX5PIK3CDKMT2A
SCHEMBL6571511 0.80 ALOX5 (0.68) ALOX5PIK3CDALDH1A1KMT2A
SCHEMBL3574601 0.80 ALOX5 (0.42) ALOX5PIK3CDKMT2A
SCHEMBL3575020 0.80 ALOX5 (0.43) ALOX5PIK3CDNPSR1
SCHEMBL3565479 0.79 ALOX5 (0.42) ALOX5PIK3CDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed