SCHEMBL2563607

SCHEMBL2563607

CN1CCCCC1C(C(N)=O)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 5/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 4/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CNR1 P21554 1/20 0.41
LOXL2 Q9Y4K0 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
SCHEMBL2561463 0.80 ALOX5 (0.49) ALOX5LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2560814 0.78 ALOX5 (0.47) ALOX5LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL1598713 0.75 HPGD (0.42) ALOX5MAOBLMNAMAPK1ALDH1A1
SCHEMBL3644854 0.75 CHRM3 (0.51)
SCHEMBL2554490 0.74 ALOX5 (0.50) ALOX5LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL2564245 0.73 ALDH1A1 (0.43) ALOX5LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL2561395 0.72 L3MBTL3 (0.43) ALOX5ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL2551908 0.71 ALOX5 (0.46) ALOX5LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2564779 0.71 ALOX5 (0.46) ALOX5LMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL11587666 0.70 ALOX5 (0.65) ALOX5LMNAMAPK1ALDH1A1SMN1; SMN2

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