SCHEMBL1111756

SCHEMBL1111756

c1ccc(SNC2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
EPHX2 P34913 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHX1 P07099 1/20 0.38
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL6024930 0.98 ALDH1A1 (0.49) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL20291230 0.79 EPHX1 (0.41) ALDH1A1HPGDTDP1RAB9AKMT2A
SCHEMBL25802992 0.79 KDM1A (0.47) KMT2AKDM4ESMN1; SMN2
SCHEMBL20246522 0.78 MAPK1 (0.46) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL22046821 0.78 CNR1 (0.51) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL29174490 0.76 GAA (0.38) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL18977174 0.76 HPGD (0.39) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL15370876 0.75 EPHX1 (0.38) ALDH1A1HPGDTDP1EPHX2SMN1; SMN2
SCHEMBL13997868 0.75 CNR1 (0.47) ALDH1A1HPGDRAB9ANPC1KMT2A
SCHEMBL1112453 0.75 KDM1A (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO disclosed
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO disclosed