SCHEMBL11519072

SCHEMBL11519072

[O-][n+]1nc2ccccc2c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GUSB P08236 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 2/20 0.35
HCRTR1 O43613 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL11514923 0.88 NR4A2 (0.37) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL11518912 0.80 DCLK1 (0.35) SMN1; SMN2LMNAHTTL3MBTL1NPC1
SCHEMBL11517718 0.80 MAPT (0.38) MAOAMAOBMAPTSMN1; SMN2ALDH1A1
SCHEMBL30461154 0.80 GPR3 (0.42) MAOAMAOBMAPTSMN1; SMN2ALDH1A1
SCHEMBL3072045 0.80 GPR3 (0.42) MAOAMAOBMAPTSMN1; SMN2ALDH1A1
SCHEMBL11516961 0.76 MAT2A (0.38) MAOAMAOBMAPTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11516501 0.76 APOBEC3A (0.39) MAOAMAOBSMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11518788 0.73 CCNC (0.36) MAOAMAOBMAPTHPGDLMNA
SCHEMBL11202522 0.70 POLB (0.44) GUSBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL38660517 0.69 GPR3 (0.61) MAOAMAOBMAPTSMN1; SMN2ALDH1A1

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
US-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed