SCHEMBL30786136

SCHEMBL30786136

COC(=O)c1cccc(F)c1SCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC3 O15379 1/20 0.43
NCOR1 O75376 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TP53 P04637 1/20 0.43
ABL1 P00519 2/20 0.42
SRC P12931 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL17080240 1.00 KDM4E (0.46) KDM4EPOLBNPSR1TDP1PKM
SCHEMBL30786123 0.88 TP53 (0.50) KDM4EPOLBNPSR1TDP1KMT2A
SCHEMBL30786121 0.88 TP53 (0.50) KDM4EPOLBNPSR1TDP1KMT2A
SCHEMBL30786272 0.83 DRD4 (0.49) KDM4EPOLBNPSR1TDP1ALDH1A1
SCHEMBL7374188 0.82 L3MBTL1 (0.43) KDM4EPKML3MBTL1KMT2AMEN1
SCHEMBL10831867 0.81 HPGD (0.55) KDM4EL3MBTL1ALDH1A1HPGDRAB9A
SCHEMBL17080275 0.80 MEN1 (0.44) KDM4EKMT2AMEN1ALDH1A1HDAC3
SCHEMBL30786194 0.80 MEN1 (0.44) KDM4EKMT2AMEN1ALDH1A1HDAC3
SCHEMBL28326285 0.79 POLB (0.58) KDM4EPOLBNPSR1PKML3MBTL1
SCHEMBL8208193 0.77 MEN1 (0.47) POLBNPSR1KMT2AMEN1ALDH1A1

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
WO-2025082316-A1 OPHTHALMIC FORMATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州必扬医药科技有限公司 2025-04-24 WO disclosed
WO-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed