SCHEMBL31363034

SCHEMBL31363034

COC(=O)N(Cc1ccc(C)cc1C)NC(=O)c1c(Oc2cccc(Br)c2F)cnn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
BTK Q06187 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL31363005 0.88 BTK (0.33) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL31362973 0.85 MAPT (0.35) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL31362992 0.77 CETP (0.35) ALDH1A1GAAPKM
SCHEMBL30919486 0.77 POLB (0.30)
SCHEMBL31362977 0.75 LMNA (0.40) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL31363023 0.72 HTT (0.42) HTTMEN1KMT2ALMNAGAA
SCHEMBL31363012 0.71 LMNA (0.34) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL30919482 0.71 SCN9A (0.37) HTTALDH1A1MAPTLMNAGAA
SCHEMBL31718998 0.70 MEN1 (0.32) MEN1KMT2ALMNA
SCHEMBL31362978 0.70 ALDH1A1 (0.32) MEN1ALDH1A1MAPTKMT2ALMNA

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-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed