SCHEMBL2556522

SCHEMBL2556522

COC1CCN(C(C(N)=O)c2nc3ccccc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
RAB9A P51151 2/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALOX15 P16050 1/20 0.38
PKM P14618 1/20 0.38
BCHE P06276 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 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
SCHEMBL2560391 0.91 ALOX5 (0.47) ALOX5RAB9AMAPTTSHRGAA
SCHEMBL2565684 0.85 ALOX5 (0.49) ALOX5RAB9AMAPTTSHRALDH1A1
SCHEMBL2563257 0.85 ALOX5 (0.39) ALOX5RAB9AMAPTTSHRGAA
SCHEMBL2565922 0.84 ALOX5 (0.44) ALOX5RAB9AMAPTTSHRGAA
SCHEMBL2560911 0.84 ALOX5 (0.44) ALOX5RAB9AMAPTGAAMAPK1
SCHEMBL2551908 0.82 ALOX5 (0.46) ALOX5RAB9AMAPTTSHRGAA
SCHEMBL2564779 0.82 ALOX5 (0.46) ALOX5RAB9AMAPTGAAMAPK1
SCHEMBL2569287 0.81 ALOX5 (0.44) ALOX5RAB9AMAPTMAPK1ALDH1A1
SCHEMBL2554490 0.79 ALOX5 (0.50) ALOX5RAB9AMAPTTSHRGAA
SCHEMBL2565339 0.78 ALOX5 (0.53) ALOX5RAB9AMAPTTSHRALDH1A1

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