SCHEMBL27706611

SCHEMBL27706611

CC(OC=O)c1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.54
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ ALOX5 P09917 1/20 0.49
▸ HPGD P15428 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ CASR P41180 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ PAX8 Q06710 1/20 0.41

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
SCHEMBL7542527 0.77 RAB9A (0.53) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL6240188 0.76 LOXL2 (0.62) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL62420 0.76 LOXL2 (0.66) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL2146969 0.76 LOXL2 (0.66) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL8340095 0.75 HPGD (0.53) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL9675088 0.74 LOXL2 (0.64) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL22320239 0.73 LOXL2 (0.58) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL12085830 0.73 HPGD (0.64) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL21318392 0.73 LOXL2 (0.62) RAB9ALOXL2ALOX5HPGDTSHR
SCHEMBL21275558 0.73 LOXL2 (0.62) RAB9ALOXL2ALOX5HPGDTSHR

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
CN-109608415-A Thiazole carboxamides class compound and its synthesis and application 暨南大学 2019-04-12 — — CN disclosed
CN-101189010-A Tricyclic 6-alkylidene-penems as class D beta-lactamase inhibitors WYETH CORP (US) 2008-05-28 — — CN disclosed
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