SCHEMBL22813664

SCHEMBL22813664

COc1ccc(CCC(=O)N2CCCC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
NAAA Q02083 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL22813565 0.90 KMT2A (0.52) KMT2ANPC1TDP1NAAAALDH1A1
SCHEMBL19059202 0.84 HTT (0.60) KMT2AALDH1A1
SCHEMBL9425644 0.82 ALOX5 (0.60) KMT2ANPC1TDP1ALDH1A1
SCHEMBL7847132 0.79 RAB9A (0.58) NPC1ALDH1A1
SCHEMBL585819 0.79 FFAR4 (0.60) ALDH1A1
SCHEMBL16825165 0.78 LMNA (0.54) KMT2ANPC1ALDH1A1
SCHEMBL584916 0.77 HTT (0.52) ALDH1A1
SCHEMBL14892303 0.77 HTT (0.54) ALDH1A1
SCHEMBL10305162 0.77 FKBP1A (0.76) KMT2ANPC1TDP1NAAAALDH1A1
SCHEMBL13636214 0.77 KMT2A (0.47) KMT2AHRH3

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-3253734-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-12-23 EP disclosed