SCHEMBL9533790

SCHEMBL9533790

CCCCc1cc(O)cc(=O)n1Cc1cccc(-c2ccccc2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
CD274 Q9NZQ7 12/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL9533788 0.83 PPARG (0.40) AGTR1GPR84
SCHEMBL9531553 0.83 PPARG (0.45) MEN1KMT2AAGTR1AGTR2GPR84
SCHEMBL9530672 0.82 PPARG (0.58) AGTR1AGTR2
SCHEMBL9535397 0.76 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9531136 0.76 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL27569853 0.76 CD274 (0.44) CD274KDM4EALDH1A1MAPK1
SCHEMBL9690775 0.75 PPARG (0.66) AGTR1
SCHEMBL9532984 0.73 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL365486 0.72 CD274 (0.44) CD274KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL9531605 0.72 AGTR1 (0.56) AGTR1AGTR2

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-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed