SCHEMBL25925464

SCHEMBL25925464

COc1cc(-c2nn(C)c(=O)c(C)c2C)cc(OC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
BRD9 Q9H8M2 2/20 0.38
BRD4 O60885 2/20 0.38
BRD2 P25440 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NMT1 P30419 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 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
SCHEMBL27512259 0.73 KDM4C (0.48) SMN1; SMN2HPGDLMNA
SCHEMBL21394609 0.72 SMN1; SMN2 (0.44) TDP2SMN1; SMN2BRD9LMNA
SCHEMBL23134701 0.69 BRD4 (0.70) BRD9BRD4BRD2BRD7
SCHEMBL13588195 0.67 SMN1; SMN2 (0.33) SMN1; SMN2BRD9LMNA
SCHEMBL7682628 0.67 MAPT (0.46) SMN1; SMN2MAPTKMT2AKDM4EHPGD
SCHEMBL25865051 0.66 BRD4 (0.48) BRD9BRD4BRD2BRD7KDM4E
SCHEMBL21394912 0.66 SMN1; SMN2 (0.39) TDP2SMN1; SMN2MAPTKMT2ABRD9
SCHEMBL23134699 0.66 BRD4 (0.68) BRD9BRD4BRD2BRD7
SCHEMBL22016864 0.65 ALDH1A1 (0.41) SMN1; SMN2BRD9BRD4KDM4EHPGD
SCHEMBL24393050 0.65 PDE10A (0.49) TDP2SMN1; SMN2MAPTKMT2ABRD9

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-2023109892-A1 COMPOUND FOR INHIBITING OR DEGRADING BRD9, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 海思科医药集团股份有限公司 2023-06-22 WO disclosed