SCHEMBL31362978

SCHEMBL31362978

COC(=O)N(Cc1ccc(C)cc1C)NC(=O)c1c(Oc2cccc(Br)c2)c(Cl)nn1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 1/20 0.31
ELANE P08246 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
SCHEMBL31362973 0.83 MAPT (0.35) ALDH1A1MAPTCYP1A2GAARECQL
SCHEMBL31363012 0.80 LMNA (0.34) ALDH1A1NPC1RAB9AMAPTGAA
SCHEMBL31362977 0.79 LMNA (0.40) ALDH1A1PPARGPPARDPPARAMAPT
SCHEMBL31362974 0.72 CYP1A2 (0.34) NPC1RAB9APPARGPPARDPPARA
SCHEMBL31362970 0.71 AKR1C3 (0.40) ALDH1A1RAB9AMAPTCYP1A2RECQL
SCHEMBL31363034 0.70 HTT (0.36) ALDH1A1MAPTCYP1A2GAALMNA
SCHEMBL31363046 0.69
SCHEMBL30919473 0.69 NR3C1 (0.35) ALDH1A1RAB9AMAPTCYP1A2LMNA
SCHEMBL31363079 0.68 P2RY1 (0.38) ALDH1A1RAB9AMAPTCYP1A2RECQL
SCHEMBL30919506 0.66 POLB (0.36) ALDH1A1NPC1RAB9AMAPTCYP1A2

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