SCHEMBL9745272

SCHEMBL9745272

C=C(C1=C(C(=O)OCC)C(c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1)c1cc(CN(CC)CC)c(O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
CACNA1B Q00975 11/20 0.44
ADORA3 P0DMS8 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL9745148 0.84 ADORA3 (0.48) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9745279 0.83 CACNA1B (0.47) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9745985 0.76 HIF1A (0.55) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9502243 0.76 ADORA3 (0.73) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL11771568 0.74 ABCC1 (0.61) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3026966 0.72 ABCC1 (0.71) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9744733 0.72 CACNA1B (0.55) CACNA1BADORA3
SCHEMBL9745152 0.70 CACNA1B (0.51) HIF1AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7266484 0.70 CACNA1B (0.73) CACNA1BADORA3
SCHEMBL11773488 0.69 CACNA1F (0.56) HIF1AMEN1CYP1A2CYP3A4CYP2C9

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-0215250-B1 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-12-30 EP disclosed
US-4845113-A USEFUL IN RADICAL SCAVENGING THERAPY BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-07-04 US disclosed