SCHEMBL2564076

SCHEMBL2564076

NC(=O)CN1CCC(CN2CCOCC2)C(c2nc3ccccc3s2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.43
MGLL Q99685 1/20 0.43
GALR3 O60755 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL2563750 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL2551906 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL2564775 0.81 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL2554488 0.79 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL2561393 0.79 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL2565682 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL5306485 0.76 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL2562551 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL2563302 0.75 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL2564244 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAAKMT2ALMNA

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