SCHEMBL20240664

SCHEMBL20240664

CN(C)CCn1cc(C(=O)O)c(=O)c2cc(Br)cnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
CASP1 P29466 1/20 0.39
MEN1 O00255 1/20 0.39
ABCC4 O15439 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.37
HTR6 P50406 3/20 0.37
HTT P42858 1/20 0.37
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL3695562 0.86 LMNA (0.52) LMNAMEN1KMT2AKDM4EMAPK1
SCHEMBL20240708 0.85 LMNA (0.34) LMNACASP1MEN1ABCC4PKM
SCHEMBL3697693 0.84 LMNA (0.54) LMNACASP1MEN1ABCC4PKM
SCHEMBL20240766 0.84 GSK3B (0.47) LMNACASP1MEN1ABCC4PKM
SCHEMBL21815683 0.82 HSD17B10 (0.42) LMNACASP1MEN1ABCC4PKM
SCHEMBL27696252 0.79 HSD17B10 (0.36) LMNACASP1MEN1ABCC4PKM
SCHEMBL20240693 0.79 CNR2 (0.43) LMNACASP1SMN1; SMN2CNR2
SCHEMBL20242872 0.78 GSK3B (0.40) LMNACASP1MEN1ABCC4PKM
SCHEMBL3695215 0.77 LMNA (0.40) LMNACASP1MEN1ABCC4PKM
SCHEMBL20257884 0.76 LMNA (0.36) LMNACASP1MEN1ABCC4PKM

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
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 WO disclosed
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 WO disclosed