SCHEMBL21574752

SCHEMBL21574752

CCC(=O)c1ccc(CC(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HCAR3 P49019 5/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL19304334 0.81 P4HA1 (0.50) MAPTL3MBTL1HCAR3HCAR2HPGD
SCHEMBL10066762 0.81 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL17682295 0.78 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1HRH3KDM4E
SCHEMBL21316613 0.78 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28188709 0.77 MAPT (0.41) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28829391 0.75 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL15630423 0.75 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28006758 0.75 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL27931896 0.75 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1HRH3KDM4E
SCHEMBL5327128 0.74 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1

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-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 — — EP disclosed
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