SCHEMBL2561463

SCHEMBL2561463

CN1CCC(C(C(N)=O)c2nc3ccccc3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.43
RAB9A P51151 5/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2560814 0.93 ALOX5 (0.47) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL2564245 0.83 ALDH1A1 (0.43) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL2563304 0.82 ALOX5 (0.41) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL2563607 0.80 ALOX5 (0.46) ALOX5LOXL2RAB9AHPGDMAPT
SCHEMBL2561977 0.79 ALOX5 (0.43) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL2566918 0.75 TP53 (0.52) ALOX5RAB9AHPGDHSD17B10MAPT
SCHEMBL2564779 0.73 ALOX5 (0.46) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL2551908 0.73 ALOX5 (0.46) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL11587666 0.73 ALOX5 (0.65) ALOX5LOXL2RAB9AHPGDCYP1A2
SCHEMBL26698277 0.73 CHRM3 (0.58) MAPTLMNAMEN1KMT2A

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