SCHEMBL30161606

SCHEMBL30161606

O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPAS1 Q99814 1/20 0.43
MCL1 Q07820 2/20 0.42
BRD4 O60885 3/20 0.40
TRPV4 Q9HBA0 1/20 0.40
SGK1 O00141 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
IDO1 P14902 1/20 0.39
KIF11 P52732 1/20 0.38
AHR P35869 1/20 0.38
DDR1 Q08345 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3877555 1.00 MEN1 (0.44) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL15881879 0.85 TRPV4 (0.44) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL30014353 0.85 TRPV4 (0.44) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL30161533 0.81 TRPV4 (0.47) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL3204890 0.81 PDE2A (0.43) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL29683114 0.81 ALDH1A1 (0.59) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL941069 0.81 TRPV4 (0.47) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL12335461 0.81 ALOX5AP (0.50) MEN1ALDH1A1TSHRKMT2AATM
SCHEMBL2777161 0.81 ALOX5AP (0.51) SGK1ALOX5APFEN1IDO1KIF11
SCHEMBL30543023 0.81 ALOX5AP (0.51) SGK1ALOX5APFEN1IDO1KIF11

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
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed
CN-115768750-A GCN2 modulator compounds 阿莱斯塔治疗公司 2023-03-07 CN disclosed
EP-4107146-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2022-12-28 EP disclosed