SCHEMBL27386387

SCHEMBL27386387

CC(=O)N1CCN(c2c3n(c4nc(-c5ccccc5)nn4c2=O)C(C(=O)Nc2ccc(C(F)(F)F)cc2)CC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.39
▸ TRPV1 Q8NER1 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MET P08581 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL27386865 1.00 EPHX2 (0.39) EPHX2TRPV1LMNAHDAC6FPR2
SCHEMBL27386866 1.00 EPHX2 (0.39) EPHX2TRPV1LMNAHDAC6FPR2
SCHEMBL30862728 0.90 TRPV1 (0.40) TRPV1LMNAHDAC6FPR2MAPT
SCHEMBL30862836 0.86 WRN (0.46) EPHX2TRPV1LMNAFPR2MAPT
SCHEMBL27386392 0.86 WRN (0.46) EPHX2TRPV1LMNAFPR2MAPT
SCHEMBL30862689 0.84 HDAC6 (0.43) TRPV1LMNAHDAC6FPR2MAPT
SCHEMBL27381226 0.80 ENPP2 (0.41) TRPV1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL30862692 0.78 WRN (0.44) EPHX2LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL30862758 0.78 WRN (0.44) EPHX2LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL30862834 0.77 TRPV1 (0.44) TRPV1LMNAHDAC6FPR2MAPT

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-2024079623-A1 TRICYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2024-04-18 — — WO disclosed
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