SCHEMBL8321979

SCHEMBL8321979

CC(=O)C1=C(C)N2CCCC2=C(C(C)=O)C1c1cccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ABCB11 O95342 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
NR1I2 O75469 1/20 0.38
GMNN O75496 1/20 0.38

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
SCHEMBL8195792 0.91 KDM4E (0.48) CYP2C9KDM4EMEN1KMT2ALMNA
SCHEMBL8322440 0.88 CYP2C9 (0.38) CYP2C9KDM4EMEN1KMT2ALMNA
SCHEMBL8320504 0.84 CYP2C9 (0.37) CYP2C9KDM4EMEN1KMT2ALMNA
SCHEMBL8438421 0.78 LMNA (0.47) CYP2C9KDM4EMEN1KMT2ALMNA
SCHEMBL8323456 0.76 TSHR (0.39) CYP2C9KDM4EMEN1KMT2ALMNA
SCHEMBL8438483 0.71 TSHR (0.60) CYP2C9KDM4EMEN1KMT2ALMNA
SCHEMBL8323999 0.70 ELANE (0.39) CYP2C9KDM4EMEN1KMT2ACYP3A4
SCHEMBL8323687 0.70 HPGD (0.55) KDM4ELMNAHSD17B10TSHRALDH1A1
SCHEMBL11724014 0.69 ACHE (0.47) KDM4EKMT2AALDH1A1GAANPSR1
SCHEMBL8318492 0.67 LMNA (0.44) CYP2C9KDM4EMEN1KMT2ALMNA

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-0717043-B1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1999-11-10 EP claimed
EP-0717043-A1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1996-06-19 EP claimed