SCHEMBL9537115

SCHEMBL9537115

Cc1c[c]c2cc(C#N)c(=O)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
GALR3 O60755 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
CYP2C19 P33261 2/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 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
SCHEMBL9536203 0.70 ALDH1A1 (0.33) KDM4EALDH1A1GAACYP1A2MAPT
SCHEMBL19751545 0.68 DAO (0.58) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL1204305 0.67 DPYD (0.42) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL10686783 0.67 KDM4E (0.55) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL9537314 0.66 IMPDH2 (0.37) MCL1DPYD
SCHEMBL214847 0.65 KDM4E (0.57) KDM4EALDH1A1HPGDGAAGALR3
SCHEMBL9539003 0.65 MAP2K1 (0.37)
SCHEMBL15064050 0.64 TSHR (0.33) ALDH1A1TSHR
SCHEMBL9971326 0.63 GRIA1 (0.63) KDM4EALDH1A1HPGDCYP1A2MAPT
SCHEMBL5091203 0.62 KDM4E (0.58) KDM4EALDH1A1HPGDGAAGALR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed