SCHEMBL2565684

SCHEMBL2565684

CC(C)OC1CCN(C(C(N)=O)c2nc3ccccc3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
BCHE P06276 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 3/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL2556522 0.85 ALOX5 (0.44) ALOX5MAPTRAB9ABCHELOXL2
SCHEMBL2551908 0.84 ALOX5 (0.46) ALOX5MAPTRAB9ABCHELOXL2
SCHEMBL2564779 0.84 ALOX5 (0.46) ALOX5MAPTRAB9ABCHELOXL2
SCHEMBL2565339 0.83 ALOX5 (0.53) ALOX5MAPTRAB9ALOXL2ALDH1A1
SCHEMBL2554490 0.81 ALOX5 (0.50) ALOX5MAPTRAB9ALOXL2ALDH1A1
SCHEMBL2561395 0.81 L3MBTL3 (0.43) ALOX5MAPTRAB9ABCHEALDH1A1
SCHEMBL2560391 0.80 ALOX5 (0.47) ALOX5MAPTRAB9ALOXL2ALDH1A1
SCHEMBL2560911 0.80 ALOX5 (0.44) ALOX5MAPTRAB9ABCHELOXL2
SCHEMBL2565922 0.80 ALOX5 (0.44) ALOX5MAPTRAB9ABCHELOXL2
SCHEMBL2563257 0.79 ALOX5 (0.39) ALOX5MAPTRAB9ABCHELOXL2

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
WO-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO disclosed