SCHEMBL8569939

SCHEMBL8569939

CCOC(=O)c1ccc(OC)c2nc(C(C)c3ccccc3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDC25B P30305 1/20 0.39
ABCB11 O95342 1/20 0.39
GABRA2 P47869 1/20 0.39
TSHR P16473 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
SCHEMBL1554441 0.89 PDE4A (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1553545 0.87 PDE4A (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8571803 0.84 PDE4A (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL8574183 0.79 HSD17B10 (0.39) MEN1KMT2AKDM4EALDH1A1
SCHEMBL1553974 0.79 PDE4A (0.38) LMNA
SCHEMBL8569941 0.77 PDE4A (0.54) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL1553667 0.77 MLKL (0.40) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL1552129 0.77 PDE4A (0.39) POLBKDM4ECYP3A4TSHR
SCHEMBL1553662 0.76 KDM4C (0.38) MEN1KMT2AKDM4EALDH1A1CDC25B
SCHEMBL1553472 0.76 PDE4A (0.39) KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed