SCHEMBL7327248

SCHEMBL7327248

COC(=O)C1=C(C(F)(F)F)NC(C)=C(C(=O)OCCCBr)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPT P10636 3/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.65
GPR55 Q9Y2T6 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
THPO P40225 1/20 0.65
CACNA1F O60840 7/20 0.64
CACNA1D Q01668 7/20 0.64
CACNA1S Q13698 7/20 0.64
CACNA1C Q13936 7/20 0.64

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
SCHEMBL7329073 0.97 CACNA1F (0.66) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7442951 0.92 CACNA1F (0.75) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL10429056 0.91 HIF1A (0.78) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7365827 0.91 CACNA1F (0.75) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL3435282 0.89 CACNA1F (0.78) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL10686194 0.88 CACNA1F (0.79) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7343596 0.86 MAPT (0.60) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9008600 0.86 MAPT (0.55) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7281098 0.86 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7427122 0.86 CACNA1F (0.80) HIF1AMEN1KMT2AMAPTCYP1A2

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-0552379-B1 DIHYDROPYRIDINE DERIVATIVES, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-30 EP disclosed
EP-0552379-A1 DIHYDROPYRIDINE DERIVATIVES, AND PROCESS FOR THEIR PREPARATION. FUJISAWA PHARMACEUTICAL CO (JP) 1993-07-28 EP disclosed
WO-1993003014-A1 DIHYDROPYRIDINE DERIVATIVES, AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed