SCHEMBL19707292

SCHEMBL19707292

CCC(O)C(Nc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 1/20 0.40
▸ FPR2 P25090 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TRPA1 O75762 1/20 0.37

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
SCHEMBL5785221 0.82 KMT2A (0.47) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL19707384 0.77 KMT2A (0.49) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL19707381 0.72 ADRA2C (0.55) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL19707293 0.71 FPR2 (0.51) KMT2AMEN1S1PR3LMNAGAA
SCHEMBL27860227 0.71 CNR1 (0.41) KMT2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL15137379 0.71 ALDH1A1 (0.62) KMT2AMEN1S1PR3LMNAGAA
SCHEMBL5786454 0.71 ALDH1A1 (0.62) KMT2AMEN1S1PR3LMNAGAA
SCHEMBL15137210 0.71 ALDH1A1 (0.62) KMT2AMEN1S1PR3LMNAGAA
SCHEMBL28780674 0.70 LMNA (0.56) SLC6A2SLC6A4SLC6A3LMNATRPA1
SCHEMBL28359204 0.70 KMT2A (0.77) KMT2AMEN1S1PR3LMNAFPR2

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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