SCHEMBL8352189

SCHEMBL8352189

C=C1c2ccccc2CN1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HDAC1 Q13547 4/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
HDAC7 Q8WUI4 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER2 P43116 2/20 0.42
PPARA Q07869 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL20060315 0.85 NR3C1 (0.45) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL1065002 0.84 MEN1 (0.69) MEN1KMT2AHDAC1KDM4EMAPT
SCHEMBL9197749 0.75 HDAC6 (0.50) MEN1KMT2AHDAC1KDM4EMAPT
SCHEMBL2019296 0.75 MEN1 (0.67) MEN1KMT2AHDAC1KDM4EMAPT
SCHEMBL2065219 0.72 HDAC1 (0.59) MEN1KMT2AHDAC1KDM4EMAPT
SCHEMBL9201046 0.72 HDAC6 (0.57) MEN1KMT2AHDAC1PTGER4PTGER2
SCHEMBL9198791 0.71 HDAC6 (0.46) MEN1KMT2AHDAC1KDM4EMAPT
SCHEMBL17502340 0.70 HDAC1 (0.76) MEN1KMT2AHDAC1MAPTHDAC7
SCHEMBL3707181 0.70 MEN1 (0.62) MEN1KMT2AHDAC1KDM4EMAPT
SCHEMBL24754397 0.69 MEN1 (0.67) MEN1KMT2AHDAC1KDM4EALOX15

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-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO disclosed