SCHEMBL5311403

SCHEMBL5311403

CSc1ccc(NC(C#N)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
GSK3B P49841 2/20 0.41
SGMS2 Q8NHU3 1/20 0.40
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL5310969 0.86 ALDH1A1 (0.64) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL5309701 0.85 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL5314512 0.85 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL5313341 0.82 ALDH1A1 (0.80) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL2521895 0.80 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ASGMS2
SCHEMBL28305748 0.80 ALDH1A1 (0.53) ALDH1A1GAAMEN1KMT2ASGMS2
SCHEMBL5309618 0.79 CA2 (0.55) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL5311963 0.79 ALDH1A1 (0.57) ALDH1A1GAAMEN1KMT2ASGMS2
SCHEMBL5311480 0.79 CA2 (0.55) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL8790518 0.79 ALDH1A1 (0.55) ALDH1A1GAAMEN1KMT2ACYP1A2

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 4 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
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed