SCHEMBL4682575

SCHEMBL4682575

O=C(O)c1ccc(C(Cc2ccccc2)c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
EPHX1 P07099 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP1A2 P05177 2/20 0.42
NR4A2 P43354 1/20 0.40
ACP3 P15309 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MME P08473 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40

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
SCHEMBL6355407 0.85 C3AR1 (0.46) EPHX1ACP3SLC1A3SLC1A2SLC1A1
SCHEMBL6355813 0.82 HDAC3 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL4432455 0.78 DAO (0.58) DAOCYP1A2MEN1POLBRAB9A
SCHEMBL924819 0.70 SLC6A2 (0.74) EPHX1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL318537 0.70 SLC6A2 (0.74) EPHX1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL5881180 0.68 EPHX1 (0.67) EPHX1CYP1A2ACP3POLBALPI
SCHEMBL28205347 0.68 ALDH1A1 (0.49) EPHX1SLC6A2SLC6A4SLC6A3CYP1A2
Ammonia Solution, Strong SCHEMBL29114405 0.68 SLC6A2 (0.71) EPHX1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL2141423 0.67 DAO (0.64) DAOCYP1A2MEN1POLBRAB9A
SCHEMBL8630679 0.67 DAO (1.00) DAOCYP1A2MEN1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532134-B1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-06-04 EP disclosed
EP-1532134-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-05-25 EP disclosed
WO-2004007477-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-01-22 WO disclosed