SCHEMBL9628580

SCHEMBL9628580

Oc1nc(-c2cccnc2)sc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 1.00
TRPM8 Q7Z2W7 1/20 0.57
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP19A1 P11511 1/20 0.47
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3138593 0.84 ALOX5 (0.80) ALOX5TRPM8ALDH1A1MEN1KMT2A
SCHEMBL9629498 0.83 ALOX5 (0.71) ALOX5CDC7DBF4
SCHEMBL11466268 0.82 ALOX5 (0.69) ALOX5RAB9ANPC1KDM4EALDH1A1
SCHEMBL9630496 0.79 ALOX5 (0.65) ALOX5TRPM8RAB9ANPC1KDM4E
SCHEMBL9628733 0.75 ALOX5 (1.00) ALOX5TRPM8
SCHEMBL11904930 0.75 ALOX5 (0.71) ALOX5TRPM8KDM4EALDH1A1CYP1A2
SCHEMBL9628717 0.75 ALOX5 (1.00) ALOX5TRPM8CDC7DBF4MEN1
SCHEMBL1459975 0.75 ALOX5 (0.60) ALOX5TRPM8RAB9ANPC1KDM4E
SCHEMBL1458929 0.75 ALOX5 (0.60) ALOX5TRPM8RAB9ANPC1KDM4E
SCHEMBL12335580 0.75 ALOX5 (0.59) ALOX5TRPM8RAB9ANPC1KDM4E

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
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0457803-A4 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS 1991-12-04 EP disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 WO disclosed