SCHEMBL20620104

SCHEMBL20620104

O=C(CNC(=O)c1cccs1)Nc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
KDM4E B2RXH2 2/20 0.62
NPC1 O15118 8/20 0.62
RAB9A P51151 7/20 0.62
TDP1 Q9NUW8 2/20 0.59
CASP3 P42574 1/20 0.58
CASP2 P42575 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL20620309 0.84 RAB9A (0.73) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL1929165 0.82 NPC1 (0.85) MEN1KMT2ACYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL31228835 0.80 NPC1 (0.82) MEN1KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL1222245 0.80 KDM4E (0.66) MEN1KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL6301755 0.80 MEN1 (0.67) MEN1KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL26333913 0.80 KDM4E (0.60) KMT2AKDM4ENPC1RAB9ATDP1
SCHEMBL17206346 0.78 ALDH1A1 (0.74) MEN1KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL3050069 0.77 MEN1 (0.67) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7394648 0.77 KDM4E (0.66) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL20620075 0.77 ALDH1A1 (0.76) MEN1KMT2ACYP2C9CYP2C19KDM4E

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-2019005563-A1 METHODS RELATED TO ACTIVATION OF THE BONE MORPHOGENIC PROTEIN SIGNALING PATHWAY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-01-03 WO disclosed