SCHEMBL18967147

SCHEMBL18967147

CC(=O)c1nn(CC=O)c2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 3/20 0.40
▸ ELANE P08246 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4C Q9H3R0 4/20 0.36
▸ CFD P00746 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ AR P10275 1/20 0.34
▸ PER2 O15055 1/20 0.33
▸ CRY2 Q49AN0 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
SCHEMBL21159201 0.80 CFD (0.49) CFD
SCHEMBL19158896 0.80 ELANE (0.42) ELANEKDM4EALDH1A1CFDKMT2A
SCHEMBL17324751 0.80 AR (0.42) ELANEKDM4CARPER2CRY2
SCHEMBL22450707 0.77 L3MBTL1 (0.44) ICMTELANEKDM4EALDH1A1L3MBTL1
SCHEMBL19234294 0.77 CFD (0.42) ELANECFD
SCHEMBL24223929 0.75 NPC1 (0.37) L3MBTL1CFD
SCHEMBL19234128 0.75 CFD (0.54) CFD
SCHEMBL17324761 0.75 ICMT (0.39) ICMTELANEKDM4EALDH1A1L3MBTL1
SCHEMBL19233896 0.74 CFD (0.45) CFD
SCHEMBL18967202 0.73 ELANE (0.41) ELANEKDM4EKDM4CCFD

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-2017098328-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHAMACEUTICALS, INC. (BB) 2017-06-15 — — WO disclosed
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