SCHEMBL6554093

SCHEMBL6554093

CC(=O)Oc1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
SPPL2A Q8TCT8 1/20 0.37
CFD P00746 1/20 0.36

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
SCHEMBL6554091 0.88 PNMT (0.39) PNMTPKMSLC6A2SLC6A3ALDH1A1
SCHEMBL6553063 0.87 KMT2A (0.47) POLBMAPTPKMSLC6A2KMT2A
SCHEMBL6553968 0.86 CYP4F2 (0.42) POLBMAPTPKMSLC6A2KMT2A
SCHEMBL6540959 0.84 TDP1 (0.48) ALDH1A1
SCHEMBL6552312 0.83 HTR6 (0.48) PNMTPOLBMAPTPKMKMT2A
SCHEMBL6552730 0.81 POLB (0.66) POLBMAPTPKMSLC6A2KMT2A
SCHEMBL6554516 0.81 POLB (0.50) POLBMAPTPKMKMT2ANAMPT
SCHEMBL4022069 0.79 POLB (0.50) POLBMAPTPKMKMT2AALDH1A1
SCHEMBL18052468 0.78 ALDH1A1 (0.53) POLBMAPTPKMKMT2AALDH1A1
SCHEMBL6554053 0.78 ADRB3 (0.59)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed