SCHEMBL31500224

SCHEMBL31500224

Clc1ccc2nc3ccc(Cl)cc3c(Cl)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
MPO P05164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
ACHE P22303 5/20 0.46
BCHE P06276 4/20 0.46
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
NR4A2 P43354 1/20 0.45
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
CYP2C9 P11712 1/20 0.44
CASP7 P55210 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL31500251 0.93 MAOA (0.52) MAOAMAOBMPOALDH1A1ACHE
SCHEMBL11780381 0.91 MAOA (0.75) MAOAMAOBALDH1A1HPGDMAPK1
SCHEMBL17423119 0.85 POLB (0.55) MAOAMAOBMPOALDH1A1ACHE
SCHEMBL13737248 0.83 DHODH (0.44) MAOAMAOBMPOACHEBCHE
SCHEMBL22791812 0.83 LMNA (0.50) MAOAMAOBMPOALDH1A1NR4A2
SCHEMBL31500228 0.83 KDM4E (0.61) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9709249 0.81 MAOA (0.72) MAOAMAOBALDH1A1ACHENR4A2
SCHEMBL14126140 0.80 KDM4E (0.62) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31038657 0.79 KDM4E (0.68) ALDH1A1ACHEMAPK1NPC1RAB9A
SCHEMBL2448633 0.79 KDM4E (0.68) ALDH1A1ACHEMAPK1NPC1RAB9A

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-2025076406-A1 SYNTHESIS AND EVALUATION OF 9-AMINOACRIDINES WITH SARS-COV-2 ANTIVIRAL ACTIVITY COLLABORATIONS PHARMACEUTICALS, INC. (US) 2025-04-10 WO disclosed