SCHEMBL5310555

SCHEMBL5310555

CS(=O)(=O)c1ccc(NC(C#N)c2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
GAA P10253 1/20 0.55
ALDH3A1 P30838 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AGTR1 P30556 1/20 0.37
RAB9A P51151 1/20 0.37
TLR9 Q9NR96 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.35
DAGLA Q9Y4D2 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL5311525 0.86 ALDH1A1 (0.76) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL5314276 0.86 ALDH1A1 (0.76) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL5311632 0.81 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL5311963 0.80 ALDH1A1 (0.57) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL13211115 0.78 ENPP2 (0.45) ALDH1A1ALDH3A1MEN1KMT2AAGTR1
SCHEMBL27462797 0.77 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2MAPTCTSL
SCHEMBL5314490 0.74 ALDH1A1 (0.74) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL5311098 0.74 ALDH1A1 (0.74) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL30731679 0.72 ALDH1A1 (1.00) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL5311694 0.72 CA2 (0.58) ALDH1A1GAAMEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
CN-1151126-C 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses ������������ʽ���� 2004-05-26 CN disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
CN-1168372-A 1, 2-diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1997-12-24 CN disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed