SCHEMBL25590680

SCHEMBL25590680

Cc1ccc(-c2ccn(C)c(=O)c2)nc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ TRPV1 Q8NER1 4/20 0.41
▸ AHR P35869 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SCN8A Q9UQD0 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MET P08581 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CD38 P28907 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL25590770 0.80 MAPT (0.43) MAPTNR3C1TRPV1AHRSMN1; SMN2
SCHEMBL25590678 0.79 MAOB (0.45) MAPTNR3C1TRPV1SMN1; SMN2MCHR1
SCHEMBL25590396 0.79 CSF1R (0.53) MAPTNR3C1TRPV1SMN1; SMN2MCHR1
SCHEMBL25593238 0.78 ABL1 (0.47) MAPTTRPV1AHRSMN1; SMN2KIT
SCHEMBL25590686 0.77 TRPV1 (0.46) MAPTNR3C1TRPV1AHRKIT
SCHEMBL25590768 0.76 KDR (0.51) MAPTNR3C1TRPV1SMN1; SMN2RXFP1
SCHEMBL25591687 0.76 MAPT (0.62) MAPTTRPV1LRRK2SMN1; SMN2MCHR1
SCHEMBL25590564 0.76 ROCK1 (0.48) MAPTTRPV1AHRLRRK2SMN1; SMN2
SCHEMBL25590566 0.76 NPC1 (0.49) MAPTTRPV1AHRSMN1; SMN2MCHR1
SCHEMBL25591484 0.76 MAPT (0.46) MAPTNR3C1TRPV1AHRSMN1; SMN2

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
WO-2023088435-A1 PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR 成都奥睿药业有限公司 2023-05-25 — — WO disclosed
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