SCHEMBL22844086

SCHEMBL22844086

BN(Cc1cccc(C(N)=O)c1)Cc1cccc(C(N)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.59
PARP1 P09874 7/20 0.48
FOLH1 Q04609 1/20 0.44
BRD4 O60885 1/20 0.44
BRD3 Q15059 1/20 0.44
AOC3 Q16853 2/20 0.43
IDH1 O75874 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
F10 P00742 1/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2911625 0.82 MEP1B (0.59) MEP1BPARP1FOLH1BRD4BRD3
Hydrochloric Acid SCHEMBL3863131 0.81 MEP1B (0.57) MEP1BPARP1FOLH1BRD4BRD3
SCHEMBL8173564 0.81 MEP1B (0.66) MEP1BPARP1BRD4BRD3AOC3
SCHEMBL2108942 0.79 MEP1B (0.59) MEP1BPARP1FOLH1IDH1KDM1A
SCHEMBL30896294 0.79 MEP1B (0.59) MEP1BPARP1FOLH1IDH1KDM1A
SCHEMBL17672270 0.79 PLA2G2A (0.59) MEP1BPARP1FOLH1IDH1KDM1A
SCHEMBL509423 0.77 LOXL2 (0.66) MEP1BPARP1FOLH1IDH1TSHR
SCHEMBL29364575 0.77 LOXL2 (0.66) MEP1BPARP1FOLH1IDH1TSHR
SCHEMBL2734990 0.77 PRSS1 (0.66) MEP1BPARP1FOLH1IDH1KDM1A
SCHEMBL7669024 0.77 PARP1 (0.55) MEP1BPARP1FOLH1IDH1KDM1A

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-3990429-B1 TERTIARY AMINE DERIVATIVES AND THEIR USES FOR TREATING A VIRAL INFECTION ENYO PHARMA (FR) 2023-07-26 EP disclosed
WO-2020260526-A1 TERTIARY AMINE DERIVATIVES AND THEIR USES FOR TREATING A VIRAL INFECTION ENYO PHARMA (FR) 2020-12-30 WO disclosed