SCHEMBL29891733

SCHEMBL29891733

Cn1nc(C(=O)O)cc1C(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.43
▸ PIK3C3 Q8NEB9 4/20 0.41
▸ KMO O15229 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.37
▸ P2RY14 Q15391 1/20 0.36
▸ SORT1 Q99523 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NTRK1 P04629 2/20 0.35
▸ GRM5 P41594 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
SCHEMBL20455592 1.00 KIT (0.43) KITPIK3C3KMOFFAR1SCN10A
SCHEMBL20470686 0.93 KIT (0.42) KITPIK3C3KMOFFAR1SCN10A
SCHEMBL20470587 0.92 SCN9A (0.43) KITPIK3C3FFAR1SCN10AMEN1
SCHEMBL29890757 0.91 KIT (0.42) KITPIK3C3FFAR1SCN10AMEN1
SCHEMBL20455624 0.91 KIT (0.42) KITPIK3C3FFAR1SCN10AMEN1
SCHEMBL20470585 0.84 SCN10A (0.52) KITPIK3C3FFAR1SCN10A
SCHEMBL29890825 0.84 SCN10A (0.52) KITPIK3C3FFAR1SCN10A
SCHEMBL29890810 0.81 KIT (0.45) KITPIK3C3FFAR1SCN10ASORT1
SCHEMBL20470582 0.81 KIT (0.45) KITPIK3C3FFAR1SCN10ASORT1
SCHEMBL20470563 0.81 GRM4 (0.47) KITPIK3C3FFAR1

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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