SCHEMBL7528094

SCHEMBL7528094

CS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CCl)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 3/20 0.44
PTPN2 P17706 2/20 0.44
PTPN6 P29350 2/20 0.44
CYP19A1 P11511 7/20 0.44
ALDH1A1 P00352 3/20 0.43
PTPRF P10586 1/20 0.42
PTPN11 Q06124 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL7612401 0.89 NPC1 (0.46) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL964676 0.89 NPC1 (0.46) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL963777 0.88 MEN1 (0.52) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL7651537 0.84 ACHE (0.45) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL7620186 0.84 EGFR (0.43) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL7529540 0.83 MEN1 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3292376 0.83 CYP19A1 (0.48) L3MBTL1PTPN1PTPN2PTPN6CYP19A1
SCHEMBL7531469 0.82 MEN1 (0.43) HPGDSMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL27555431 0.80 PTPN1 (0.43) L3MBTL1PTPN1PTPN2PTPN6CYP19A1
SCHEMBL7532766 0.80 L3MBTL1 (0.44) L3MBTL1PTPN1PTPN2PTPN6CYP19A1

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-1219604-A1 METHOD FOR IMPROVING THE SOLUBILITY OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-07-03 EP disclosed
EP-1195371-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-04-10 EP disclosed