SCHEMBL2565339

SCHEMBL2565339

CC(C)N1CCN(C(C(N)=O)c2nc3ccccc3s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.47
APEX1 P27695 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAD52 P43351 1/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 2/20 0.41
ATM Q13315 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 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
SCHEMBL2554490 0.88 ALOX5 (0.50) ALOX5LOXL2APEX1MEN1KMT2A
SCHEMBL2565763 0.87 NPC1 (0.52) ALOX5LOXL2ALDH1A1MAPTRAB9A
SCHEMBL2556350 0.87 ALOX5 (0.47) ALOX5LOXL2APEX1ALDH1A1MAPT
SCHEMBL2562564 0.86 RAB9A (0.55) ALOX5LOXL2APEX1ALDH1A1RAB9A
SCHEMBL2560226 0.85 ALOX5 (0.47) ALOX5LOXL2APEX1MEN1KMT2A
SCHEMBL2563820 0.85 NPC1 (0.50) ALOX5LOXL2APEX1ALDH1A1MAPT
SCHEMBL2551908 0.84 ALOX5 (0.46) ALOX5LOXL2APEX1ALDH1A1MAPT
SCHEMBL2564779 0.84 ALOX5 (0.46) ALOX5LOXL2APEX1ALDH1A1MAPT
SCHEMBL2558639 0.83 DRD2 (0.44) ALOX5LOXL2ALDH1A1MAPTRAB9A
SCHEMBL2565684 0.83 ALOX5 (0.49) ALOX5LOXL2KMT2AALDH1A1MAPT

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