SCHEMBL9656771

SCHEMBL9656771

Cc1cccc(OCC(O)CNC(C)(C)CNc2ccc(C3=NNC(=O)CC3C)cc2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 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 6/20 0.43
PDE3A Q14432 6/20 0.43
TNNC1 P63316 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASR P41180 5/20 0.41
ADRB2 P07550 5/20 0.40
CYP2D6 P10635 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 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
SCHEMBL9657434 0.92 CASR (0.51) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL9657573 0.90 PDE3B (0.46) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL10567660 0.89 PDE3B (0.45) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL9654423 0.86 MAPT (0.43) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL9655863 0.85 PDE3B (0.45) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL9655814 0.85 PDE3B (0.45) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL9656799 0.85 PDE3B (0.46) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL9657696 0.85 KDM4E (0.44) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL9656654 0.85 ADRB2 (0.47) CYP1A2CYP3A4KDM4EALDH1A1ALOX15
SCHEMBL9657593 0.84 PDE3B (0.45) CYP1A2CYP3A4KDM4EALDH1A1ALOX15

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 3 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
EP-0259835-A2 Pyridazinone derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1988-03-16 EP disclosed