SCHEMBL9778646

SCHEMBL9778646

COc1ccc(C2SCCCS2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA2 P00918 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1B1 Q16678 2/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45

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
SCHEMBL9778847 0.93 MEN1 (0.50) MEN1KMT2ACA2CA12CA1
SCHEMBL9778610 0.87 CA12 (0.46) MEN1KMT2ACA2CA12CA1
SCHEMBL9778589 0.81 TSHR (0.44) MEN1KMT2ACA2CA12CA1
SCHEMBL11611417 0.79 CYP3A4 (0.47) MEN1KMT2ACYP3A4TSHRKDM4E
SCHEMBL12264767 0.79 TSHR (0.50) MEN1KMT2ACYP1A1CYP1A2CYP3A4
SCHEMBL9778659 0.77 L3MBTL1 (0.47) MEN1KMT2ACA2CA12CA1
SCHEMBL9778741 0.75 TSHR (0.45) CA2CA12CA1CA7CA9
SCHEMBL4785764 0.75 TSHR (0.49) MEN1KMT2ATSHRKDM4ENPC1
Iodide SCHEMBL11767987 0.74 GAA (0.37) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL25705924 0.74 MEN1 (0.59) MEN1KMT2ACA2CA12CA1

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
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed