SCHEMBL30016005

SCHEMBL30016005

O=C(O)c1ccc(Br)cc1SCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.68
PTPRG P23470 2/20 0.68
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
CYP2C9 P11712 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 2/20 0.49
POLB P06746 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44

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
SCHEMBL11820877 0.91 PTPRG (0.69) PTPRCPTPRGKMT2AALDH1A1MEN1
SCHEMBL18769941 0.88 PTPRC (0.54) PTPRCPTPRGKMT2AALDH1A1MEN1
SCHEMBL30016479 0.88 PTPRC (0.54) PTPRCPTPRGKMT2AALDH1A1MEN1
SCHEMBL28109773 0.88 KMT2A (0.64) PTPRCPTPRGKMT2AALDH1A1MEN1
SCHEMBL11817650 0.87 PTPRG (0.76) PTPRCPTPRGKMT2AMEN1NPC1
SCHEMBL17927526 0.84 PTPRC (0.51) PTPRCPTPRGKMT2AALDH1A1MEN1
SCHEMBL29295506 0.84 L3MBTL1 (0.52) PTPRCPTPRGKMT2AALDH1A1MEN1
SCHEMBL11567962 0.83 PTPRG (0.51) PTPRCPTPRGKMT2AALDH1A1MEN1
SCHEMBL17927618 0.82 PTPRC (0.49) PTPRCPTPRGKMT2AALDH1A1MEN1
SCHEMBL1901284 0.80 PTPRG (0.67) PTPRCPTPRGKMT2AALDH1A1MEN1

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-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed