SCHEMBL2551908

SCHEMBL2551908

NC(=O)C(c1nc2ccccc2s1)N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
LTA4H P09960 4/20 0.42
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 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
SCHEMBL2565922 0.93 ALOX5 (0.44) ALOX5LTA4HHPGDCYP1A2CYP2C19
SCHEMBL2564779 0.90 ALOX5 (0.46) ALOX5LTA4HHPGDCYP1A2CYP2C19
SCHEMBL2554490 0.87 ALOX5 (0.50) ALOX5HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL2561395 0.86 L3MBTL3 (0.43) ALOX5HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL2560911 0.86 ALOX5 (0.44) ALOX5LTA4HHPGDCYP1A2CYP2C19
SCHEMBL2565684 0.84 ALOX5 (0.49) ALOX5LTA4HHPGDCYP1A2CYP2C19
SCHEMBL2560226 0.84 ALOX5 (0.47) ALOX5HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL2563820 0.84 NPC1 (0.50) ALOX5HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL2565339 0.84 ALOX5 (0.53) ALOX5HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL2563754 0.83 NPC1 (0.43) ALOX5HPGDHSD17B10RAB9ANPC1

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