SCHEMBL29890757

SCHEMBL29890757

COC(=O)c1cc(C(=O)Nc2ccc3cc(-c4ccccc4C(F)(F)F)[nH]c3n2)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.42
▸ PIK3C3 Q8NEB9 5/20 0.42
▸ ABL1 P00519 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ RBP4 P02753 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL20455624 1.00 KIT (0.42) KITPIK3C3ABL1SRCSCN10A
SCHEMBL29891733 0.91 KIT (0.43) KITPIK3C3SCN10AMEN1KMT2A
SCHEMBL20455592 0.91 KIT (0.43) KITPIK3C3SCN10AMEN1KMT2A
SCHEMBL20470587 0.90 SCN9A (0.43) KITPIK3C3SCN10AMEN1KMT2A
SCHEMBL20470686 0.90 KIT (0.42) KITPIK3C3SCN10AMEN1KMT2A
SCHEMBL20470585 0.83 SCN10A (0.52) KITPIK3C3SCN10AALDH1A1SMN1; SMN2
SCHEMBL29890825 0.83 SCN10A (0.52) KITPIK3C3SCN10AALDH1A1SMN1; SMN2
SCHEMBL22829330 0.80 SCN10A (0.37) ABL1SRCSCN10ARBP4ALDH1A1
SCHEMBL20470582 0.80 KIT (0.45) KITPIK3C3ABL1SRCSCN10A
SCHEMBL29890810 0.80 KIT (0.45) KITPIK3C3ABL1SRCSCN10A

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-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 — — CN disclosed
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