SCHEMBL19707295

SCHEMBL19707295

CCC(O)C(c1ccccc1)N(C(=O)Nc1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ FPR2 P25090 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ HDAC3 O15379 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39

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
SCHEMBL19707659 0.79 NPY5R (0.56) MEN1KMT2AS1PR3FPR2ALDH1A1
SCHEMBL19707210 0.74 FPR2 (0.46) MEN1KMT2AFPR2ALDH1A1RAB9A
SCHEMBL19707706 0.73 MEN1 (0.45) MEN1KMT2AS1PR3FPR2ALDH1A1
SCHEMBL19707831 0.73 NPY5R (0.47) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19708112 0.70 MEN1 (0.47) MEN1KMT2AFPR2ALDH1A1RAB9A
SCHEMBL19707292 0.68 KMT2A (0.44) MEN1KMT2AS1PR3FPR2ALDH1A1
SCHEMBL19708072 0.68 MEN1 (0.66) MEN1KMT2ARAB9ANPC1TDP1
SCHEMBL19707595 0.68 MEN1 (0.50) MEN1KMT2AFPR2ALDH1A1RAB9A
SCHEMBL7609572 0.67 RAB9A (0.53) MEN1KMT2AFPR2ALDH1A1RAB9A
SCHEMBL19707634 0.65 RAB9A (0.50) MEN1KMT2AFPR2ALDH1A1RAB9A

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-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 — — WO disclosed
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