SCHEMBL19971036

SCHEMBL19971036

COc1cc(NCc2ccccc2O)ncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 6/20 0.51
CYP3A4 P08684 6/20 0.51
CYP2D6 P10635 6/20 0.51
TSHR P16473 6/20 0.51
CYP2C19 P33261 6/20 0.51
CLK4 Q9HAZ1 5/20 0.51
LMNA P02545 4/20 0.51
TP53 P04637 3/20 0.51
HIF1A Q16665 3/20 0.51

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
SCHEMBL2040677 0.80 NPSR1 (0.67) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2044582 0.78 MAPT (0.57) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2043746 0.76 NPSR1 (0.50) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2040207 0.76 SMN1; SMN2 (0.52) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2042859 0.75 NPSR1 (0.63) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2049067 0.75 HSD17B10 (0.52) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL34462821 0.75 CYP1A2 (0.77) KMT2AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2045682 0.73 MAPT (0.54) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2049069 0.73 NPSR1 (0.50) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2040983 0.72 ALDH1A1 (0.56) KMT2ANPC1L3MBTL1RAB9ASMN1; SMN2

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
EP-2516398-B1 PHENOLIC DERIVATIVES, AND THEIR PHARMACEUTICAL OR COSMETIC USE GALDERMA RES & DEV (FR) 2018-03-21 EP claimed