SCHEMBL10690995

SCHEMBL10690995

CSc1ccc2[nH]c(=O)c(C#N)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 4/20 0.41
GALR3 O60755 1/20 0.40
IDH1 O75874 9/20 0.40
PDE5A O76074 1/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL10686493 0.89 MCL1 (0.40) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL19751545 0.81 DAO (0.58) KDM4EHPGDALDH1A1GAAHSD17B10
SCHEMBL29891877 0.79 IMPDH2 (0.51) KDM4EHPGDALDH1A1GAAGALR3
SCHEMBL8139952 0.78 FLT3 (0.49) GAAIDH1DAO
SCHEMBL7264461 0.78 IDH1 (0.51) KDM4EHPGDALDH1A1GAAMCL1
SCHEMBL10691248 0.78 DAO (0.58) IDH1DAO
SCHEMBL7501391 0.77 IDH1 (0.55) KDM4EHPGDALDH1A1GAATSHR
SCHEMBL7499153 0.77 IDH1 (0.58) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL10692726 0.76 KDM4E (0.45) KDM4EHPGDALDH1A1GAATSHR
SCHEMBL1903750 0.75 BRD4 (0.55) KDM4EHPGDALDH1A1GAAMCL1

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-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP 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