SCHEMBL5314512

SCHEMBL5314512

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.43
ALOX5 P09917 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PTGS1 P23219 1/20 0.34
LMNA P02545 3/20 0.33
ALPG P10696 1/20 0.33
SLC6A4 P31645 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL5309701 1.00 ALDH1A1 (0.53) ALDH1A1GAAMAPK1ALOX5SMN1; SMN2
SCHEMBL5310969 0.86 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2KDM4EMEN1
SCHEMBL5311403 0.85 ALDH1A1 (0.53) ALDH1A1GAAMAPK1SMN1; SMN2KDM4E
SCHEMBL5313341 0.82 ALDH1A1 (0.80) ALDH1A1GAAMAPK1SMN1; SMN2KDM4E
SCHEMBL5311963 0.82 ALDH1A1 (0.57) ALDH1A1GAAMAPK1SMN1; SMN2KDM4E
SCHEMBL5309618 0.79 CA2 (0.55) ALDH1A1GAAMAPK1SMN1; SMN2MEN1
SCHEMBL5311480 0.79 CA2 (0.55) ALDH1A1GAAMAPK1SMN1; SMN2MEN1
SCHEMBL28166474 0.79 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2KDM4EMEN1
SCHEMBL28304647 0.79 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2KDM4EMEN1
SCHEMBL5309689 0.74 CA1 (0.51) ALDH1A1GAASMN1; SMN2KDM4EPTGS1

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