SCHEMBL6536327

SCHEMBL6536327

COC(=S)c1cc(I)c(Oc2ccc(OC)cc2)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
LTA4H P09960 2/20 0.39
PCNA P12004 2/20 0.38
PARP10 Q53GL7 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HPGD P15428 3/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL237992 0.81 CA1 (0.58) ALDH1A1MAPTKMT2AMEN1PCNA
SCHEMBL4431892 0.79 MAPT (0.48) ALDH1A1MAPTPCNAPARP10RAB9A
SCHEMBL6135835 0.79 TPMT (0.58) KMT2AMEN1PCNAPARP10NPC1
SCHEMBL6136046 0.78 PLK1 (0.60) ALDH1A1HTTPCNAPARP10SMN1; SMN2
SCHEMBL6135849 0.77 PARP10 (0.62) ALDH1A1KMT2APCNAPARP10CA1
SCHEMBL6135971 0.77 PARP10 (0.45) ALDH1A1MAPTLTA4HPCNAPARP10
SCHEMBL6135832 0.75 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1PCNAPARP10
SCHEMBL7561681 0.75 KMT2A (0.47) KMT2APCNAPARP10SMN1; SMN2CYP1A2
SCHEMBL11121048 0.74 CA1 (0.56) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL6535223 0.73 PCNA (0.49) PCNASMN1; SMN2CYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003498-A4 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECH INC (US) 2004-07-14 EP disclosed
US-6169104-B1 COMPOUNDS BIND TUBULIN AND EXHIBIT ANTI-MITOTIC PROPERTIES; USING SUCH COMPOUNDS TO INHIBIT ABNORMAL CELL MITOSIS AND, IN PARTICULAR, TO INHIBIT TUMOR CELL GROWTH LARGE SCALE BIOLOGY CORPORATION 2001-01-02 US disclosed
EP-1003498-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS Biosource Technologies, Inc. (US) 2000-05-31 EP disclosed
WO-1998042328-A1 DI-ARYL ETHERS AND THEIR DERIVATIVES AS ANTI-CANCER AGENTS BIOSOURCE TECHNOLOGIES, INC. (US) 1998-10-01 WO disclosed