SCHEMBL31466902

SCHEMBL31466902

COc1ccc(C)c(I)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA4 P22748 2/20 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
SCHEMBL31612960 1.00 ACHE (0.39) ACHEALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL28331707 0.79 CYP19A1 (0.43) ACHEALDH1A1KDM4EL3MBTL1HPGD
Hydrogen Sulfide SCHEMBL28333201 0.77 CYP19A1 (0.42) ACHEALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL141853 0.77 ACHE (0.44) ACHEALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL29793327 0.76 ACHE (0.52) ACHEALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL1635785 0.76 ACHE (0.52) ACHEALDH1A1KDM4EL3MBTL1TSHR
Ammonia Solution, Strong SCHEMBL27342870 0.75 ALDH1A1 (0.44) ACHEALDH1A1KDM4EL3MBTL1TSHR
Hydrochloric Acid SCHEMBL9739649 0.75 ACHE (0.42) ACHEALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL31186207 0.73 TSHR (0.36) ACHETSHRPOLBLMNA
SCHEMBL8917666 0.73 TSHR (0.36) ACHETSHRPOLBLMNA

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
WO-2025119300-A1 MYT1 KINASE INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 广东东阳光药业股份有限公司 2025-06-12 WO disclosed
CN-120118088-A Myt1 kinase inhibitor compounds, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2025-06-10 CN disclosed
WO-2025064567-A1 TRICYCLIC PHENOLS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2025-03-27 WO disclosed