SCHEMBL22301784

SCHEMBL22301784

CCc1cc(OC)c(CN(C)C)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
BRD9 Q9H8M2 7/20 0.44
BRD4 O60885 6/20 0.44
BRD7 Q9NPI1 5/20 0.44
BRD2 P25440 4/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTR7 P34969 4/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TAF1 P21675 1/20 0.37
TGFBR1 P36897 1/20 0.37
BRPF1 P55201 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL19869934 0.78 BRD9 (0.45) BRD9BRD4BRD7BRD2HTR7
SCHEMBL22302148 0.78 BRD9 (0.45) BRD9BRD4BRD7BRD2MAPT
SCHEMBL29274530 0.77 MAPT (0.51) PTGS2MAPTLMNAMEN1ALDH1A1
SCHEMBL918847 0.75 PTGS2 (0.59) PTGS2ALDH1A1CYP3A4KDM4EHTR2A
SCHEMBL12895704 0.75 PTGS2 (0.59) PTGS2MAPTMEN1ALDH1A1KMT2A
SCHEMBL21227799 0.73 PTGS2 (0.40) PTGS2MAPTMEN1ALDH1A1KMT2A
SCHEMBL19869865 0.73 BRD9 (0.42) BRD9BRD4BRD7BRD2MAPT
SCHEMBL3214081 0.72 HSD17B10 (0.39) PTGS2BRD9BRD4MAPTLMNA
SCHEMBL30374 0.72 PTGS2 (1.00) PTGS2MAPTCYP3A4KDM4EHTR2A
SCHEMBL13754262 0.72 PTGS2 (0.67) PTGS2MEN1ALDH1A1KMT2AKDM4E

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-2020160193-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed