SCHEMBL31193398

SCHEMBL31193398

Nc1ccc(OCc2ccc(F)cc2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
MRGPRX4 Q96LA9 4/20 0.51
PPARA Q07869 1/20 0.48
CISD1 Q9NZ45 1/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR5 P51681 1/20 0.43
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL3320471 1.00 MAOB (0.56) MAOBMRGPRX4PPARACISD1SLC6A4
SCHEMBL14854821 0.87 MRGPRX4 (0.55) MAOBMRGPRX4SLC6A4NPC1HPGD
SCHEMBL14855309 0.84 CCR5 (0.52) MAOBMRGPRX4SLC6A4NPC1HPGD
SCHEMBL14855243 0.84 MRGPRX4 (0.48) MAOBMRGPRX4NPC1HPGDRAB9A
SCHEMBL14854665 0.84 MRGPRX4 (0.48) MRGPRX4NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4319489 0.83 MAOB (0.59) MAOBSLC6A4SLC6A2SLC6A3NPC1
SCHEMBL632895 0.83 MRGPRX4 (0.57) MAOBMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL29388015 0.83 MAOB (0.61) MAOBMRGPRX4IDO1AGXT
SCHEMBL29514868 0.83 MAOB (0.61) MAOBMRGPRX4IDO1AGXT
SCHEMBL156718 0.83 MAOB (0.61) MAOBMRGPRX4IDO1AGXT

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
CN-118652239-A Synthesis and application of EGFR allosteric inhibitors 江南大学 2024-09-17 CN disclosed