SCHEMBL31363005

SCHEMBL31363005

COC(=O)N(Cc1ccc(C)cc1C)NC(=O)c1cnn(C)c1Oc1cccc(Br)c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR1 P21462 1/20 0.32
GPR6 P46095 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
LMNA P02545 2/20 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
SCHEMBL31363034 0.88 HTT (0.36) BTKHTTMEN1ALDH1A1MAPT
SCHEMBL30919486 0.76 POLB (0.30)
SCHEMBL31362973 0.74 MAPT (0.35) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL30919482 0.73 SCN9A (0.37) HTTALDH1A1MAPTLMNA
SCHEMBL31363069 0.73 BTK (0.36) BTKHTTMEN1ALDH1A1KMT2A
SCHEMBL31363111 0.72 LMNA (0.42) HTTALDH1A1MAPTKMT2ANPC1
SCHEMBL31362977 0.68 LMNA (0.40) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL30919473 0.66 NR3C1 (0.35) HTTALDH1A1MAPTRAB9ALMNA
SCHEMBL31363012 0.65 LMNA (0.34) HTTMEN1ALDH1A1MAPTKMT2A
SCHEMBL31363023 0.61 HTT (0.42) BTKHTTMEN1KMT2AHTR2A

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