SCHEMBL27301293

SCHEMBL27301293

NCc1cnc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.47
HSPB1 P04792 1/20 0.44
RXRB P28702 1/20 0.42
MAOB P27338 4/20 0.41
GAA P10253 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
MLNR O43193 1/20 0.36
CYP2D6 P10635 1/20 0.36
MMP13 P45452 1/20 0.35
SOS1 Q07889 1/20 0.35
AOC2 O75106 1/20 0.35
DAO P14920 1/20 0.35
MAOA P21397 1/20 0.35
TRPA1 O75762 1/20 0.35
RAB9A P51151 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
Hydrochloric Acid SCHEMBL4373767 0.98 MEN1 (0.53) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL12967182 0.83 L3MBTL1 (0.50) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL21906692 0.83 L3MBTL1 (0.50) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4369957 0.81 MAOB (0.47) KDM4EMAOBRAB9A
SCHEMBL4375086 0.79 MEN1 (0.45) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL31132787 0.77 MEN1 (0.64) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL21906498 0.77 L3MBTL1 (0.44) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL4380974 0.77 MEN1 (0.63) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL30744447 0.77 MEN1 (0.63) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL18362140 0.75 MEN1 (0.45) MEN1KMT2AKDM4EL3MBTL1ALDH1A1

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-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed