SCHEMBL9657696

SCHEMBL9657696

Cc1ccc(C#N)c(OCC(O)CNC(C)(C)CNc2ccc(C3=NNC(=O)CC3C)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE3B Q13370 7/20 0.43
PDE3A Q14432 7/20 0.43
TNNC1 P63316 1/20 0.43
CASR P41180 8/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
MAOA P21397 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 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
Oberadilol SCHEMBL8813275 0.92 KDM4E (0.43) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
Oberadilol SCHEMBL29711553 0.92 KDM4E (0.43) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
Oberadilol SCHEMBL9752054 0.92 KDM4E (0.43) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL9656799 0.92 PDE3B (0.46) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL9657585 0.89 PDE3B (0.45) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL9655934 0.89 PDE3B (0.45) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
Oberadilol SCHEMBL9656812 0.88 CASR (0.42) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
Oberadilol SCHEMBL9656824 0.88 CASR (0.42) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL9655901 0.86 L3MBTL1 (0.56) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL9656771 0.85 CYP1A2 (0.44) KDM4EALDH1A1CYP1A2CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259835-B1 PYRIDAZINONE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1992-01-15 EP disclosed
US-4843072-A Antihypertensive pyridazinone aminoisopropanol derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-06-27 US disclosed