SCHEMBL10692726

SCHEMBL10692726

CS(=O)(=O)c1ccc2[nH]c(=O)c(C#N)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
FASN P49327 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 3/20 0.41
GALR3 O60755 1/20 0.41
GAA P10253 1/20 0.41
GCK P35557 1/20 0.41
LMNA P02545 2/20 0.41
PARG Q86W56 1/20 0.40
PDE5A O76074 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL10692921 0.88 KDM4E (0.45) KDM4ECYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL19751545 0.78 DAO (0.58) KDM4ECYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL29891877 0.76 IMPDH2 (0.51) KDM4EFASNALDH1A1HPGDGALR3
SCHEMBL10690995 0.76 KDM4E (0.43) KDM4ECYP2C19ALDH1A1HPGDGALR3
SCHEMBL7264461 0.75 IDH1 (0.51) KDM4EALDH1A1HPGDGALR3GAA
SCHEMBL10691248 0.75 DAO (0.58) IDH1
SCHEMBL8139952 0.75 FLT3 (0.49) GAAIDH1
SCHEMBL7499153 0.75 IDH1 (0.58) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL7501391 0.75 IDH1 (0.55) KDM4ECYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL1903750 0.73 BRD4 (0.55) KDM4EALDH1A1HPGDGALR3GAA

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
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US disclosed
EP-0120484-B1 (1H-TETRAZOL-5-YL)TETRAZOLO (1,5-A)-QUINOLINES AND RELATED COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-22 EP disclosed
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP disclosed
US-4496569-A Antiallergic (1H-tetrazol-5-yl)tetrazolo[1,5-a]quinolines and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-01-29 US disclosed
EP-0120484-A1 (1H-tetrazol-5-yl)tetrazolo (1,5-a)-quinolines and related compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP disclosed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP disclosed