SCHEMBL26783382

SCHEMBL26783382

CC(CCNc1nccc2cccnc12)C(C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPK1 P28482 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MECP2 P51608 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RCE1 Q9Y256 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
SCHEMBL23593377 0.83 MAPT (0.42) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL26783459 0.77 MAPT (0.40) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL26783543 0.75 KMT2A (0.38) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL29639853 0.73 IDO1 (0.60) MAPTRAB9ANPC1MAPK1CASP3
SCHEMBL23572579 0.73 IDO1 (0.60) MAPTRAB9ANPC1MAPK1CASP3
SCHEMBL26783488 0.69 MAPT (0.44) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL23593416 0.66 KDM4E (0.43) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL9545146 0.65 TLR8 (0.58) MAPTL3MBTL1KDM4ENPC1SMN1; SMN2
SCHEMBL28192482 0.64 ALDH1A1 (0.60) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL12376784 0.62 KMT2A (0.59) MAPTKMT2AMEN1L3MBTL1KDM4E

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
EP-3810116-B1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 — — EP disclosed
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