SCHEMBL2561460

SCHEMBL2561460

CN1CCC(CC(N)=O)C(c2nc3ccccc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
UBE2M P61081 7/20 0.43
DCUN1D1 Q96GG9 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
GRM2 Q14416 1/20 0.43
LMNA P02545 7/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 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
SCHEMBL2566803 0.83 UBE2M (0.46) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2564244 0.83 ALDH1A1 (0.46) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2563302 0.83 ALDH1A1 (0.44) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2563603 0.78 SMN1; SMN2 (0.45) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL25911550 0.75 MEN1 (0.46) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL25910826 0.75 MEN1 (0.46) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL29081218 0.73 KMT2A (0.56) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2564076 0.73 SMN1; SMN2 (0.45) KMT2AMEN1UBE2MDCUN1D1SMN1; SMN2
SCHEMBL2551906 0.72 SMN1; SMN2 (0.51) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL2561975 0.72 SMN1; SMN2 (0.44) MAPTKMT2AMEN1CYP1A2CYP3A4

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