SCHEMBL2554488

SCHEMBL2554488

NC(=O)CN1CCC(c2nc3ccccc3s2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 4/20 0.64
KMT2A Q03164 3/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 5/20 0.60
GALR3 O60755 1/20 0.56
HPGD P15428 1/20 0.56
UBE2M P61081 8/20 0.56
DCUN1D1 Q96GG9 8/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL5306485 0.94 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL2551906 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL2564775 0.85 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL2561393 0.82 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL2565761 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL2560225 0.81 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL18996008 0.81 NEDD4 (0.62) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL2565336 0.81 KMT2A (0.50) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL2565682 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AGAALMNA
SCHEMBL2563750 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AGAALMNA

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