SCHEMBL9800640

SCHEMBL9800640

Nc1ccc(Oc2ccc3ncccc3c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
ATM Q13315 2/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
TSHR P16473 1/20 0.58
CASP1 P29466 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SCN9A Q15858 1/20 0.48

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
SCHEMBL14021995 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPC1RAB9ASCN9A
SCHEMBL29612552 0.83 PPARG (0.56) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL23063015 0.83 PPARG (0.56) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL2000772 0.82 PPARG (0.54) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL1913888 0.81 LMNA (0.62) MAPTALDH1A1HTTCASP1HSD17B10
SCHEMBL9800721 0.81 ALDH1A1 (0.66) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL3821627 0.80 ALDH1A1 (0.49) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL9800655 0.79 KMT2A (0.64) MAPTALDH1A1HTTKDM4EHSP90AA1
SCHEMBL10655058 0.79 ALDH1A1 (0.62) MAPTALDH1A1ATMHTTKDM4E
SCHEMBL9447156 0.77 GAA (0.66) MAPTALDH1A1ATMHTTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed