SCHEMBL7892149

SCHEMBL7892149

CC(=O)Nc1ccc(Sc2cccc(C3(C#N)CCOCC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
LMNA P02545 4/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
PAX8 Q06710 1/20 0.38
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL3561984 0.88 ALOX5 (0.43) ALOX5LMNANPC1RAB9AMAPT
SCHEMBL9380924 0.82 ALOX5 (0.43) ALOX5LMNANPC1RAB9AMAPT
SCHEMBL3567445 0.79 ALOX5 (0.43) ALOX5MAPTKMT2AALDH1A1HPGD
SCHEMBL3574382 0.78 ALOX5 (0.46) ALOX5KMT2A
SCHEMBL3572528 0.78 ALOX5 (0.41) ALOX5LMNANPC1RAB9AMAPT
SCHEMBL7809060 0.75 KMT2A (0.41) ALOX5KMT2A
SCHEMBL7807422 0.75 ALOX5 (0.44) ALOX5NPC1RAB9AMAPTTDP1
SCHEMBL7811821 0.74 ALOX5 (0.42) ALOX5KMT2A
SCHEMBL332725 0.74 ALOX5 (0.53) ALOX5KMT2A
SCHEMBL1598952 0.73 ALOX5 (0.35) ALOX5LMNARAB9AHPGD

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-6194585-B1 REACTING 4-(3-(4-(2-(ALKYL OR ARYL-IMIDAZOL-1-YL)-PHENYL SULFANYL)-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID AMIDE WITH METHANESULFONIC ACID TO FORM CORRESPONDING METHANESULFONIC ACID PFIZER INC. 2001-02-27 US disclosed
EP-1029865-A2 Process and intermediates for preparing 5-lipoxygenase inhibitors Pfizer Products Inc. (US) 2000-08-23 EP disclosed