SCHEMBL4375086

SCHEMBL4375086

NCc1ccc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAOB P27338 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SOS1 Q07889 1/20 0.41
TRPA1 O75762 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
LTA4H P09960 1/20 0.38
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CDK8 P49336 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
SCHEMBL16853366 0.89 ST14 (0.40) ALDH1A1LTA4HST14
SCHEMBL1680724 0.84 LTA4H (0.52) MAOBLTA4HLOXL2
SCHEMBL12967178 0.82 L3MBTL1 (0.41) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL21503567 0.81 MAOB (0.65) MAOBRAB9A
SCHEMBL27301293 0.79 MEN1 (0.54) MEN1KMT2AKDM4EMAOBL3MBTL1
SCHEMBL360633 0.78
SCHEMBL30440057 0.78
Hydrochloric Acid SCHEMBL4373767 0.78 MEN1 (0.53) MEN1KMT2AKDM4EMAOBL3MBTL1
SCHEMBL4375188 0.78 SOS1 (0.48) SOS1KCNH2CDK8
Hydrochloric Acid SCHEMBL1413792 0.77 LOXL2 (0.41) MAOBKCNH2LOXL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed