SCHEMBL29665884

SCHEMBL29665884

N#Cc1ccc(NC2CCC(NC(=O)c3cccc4[nH]ccc34)CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ DHPS P49366 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PTGES O14684 3/20 0.38
▸ GOT1 P17174 2/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ BRD4 O60885 3/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ BRD2 P25440 1/20 0.37

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
SCHEMBL24513509 1.00 TAS2R14 (0.43) TAS2R14TRPA1DHPSTRPV1L3MBTL1
SCHEMBL29665915 0.88 JAK3 (0.44) TAS2R14TRPA1L3MBTL1KMT2AMEN1
SCHEMBL24512903 0.88 JAK3 (0.44) TAS2R14TRPA1L3MBTL1KMT2AMEN1
SCHEMBL29665802 0.86 TNKS (0.43) TAS2R14TRPA1TRPV1PTGESBRD4
SCHEMBL29665826 0.85 JAK2 (0.43) TAS2R14TRPA1JAK2JAK1TYK2
SCHEMBL24513513 0.85 JAK2 (0.43) TAS2R14TRPA1JAK2JAK1TYK2
SCHEMBL29316483 0.84 AR (0.43) TAS2R14DHPSL3MBTL1KMT2AATM
SCHEMBL24512973 0.82 TRPA1 (0.41) TAS2R14TRPA1KMT2AMEN1POLB
SCHEMBL29665854 0.82 TRPA1 (0.41) TAS2R14TRPA1KMT2AMEN1POLB
SCHEMBL24512972 0.80 TRPA1 (0.43) TAS2R14TRPA1KMT2AMEN1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259604-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-18 — — EP disclosed
WO-2022125636-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-16 — — WO disclosed
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