SCHEMBL30574458

SCHEMBL30574458

CCOC(=O)c1cnc(C(F)(F)F)nc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 8/20 0.58
JUN P05412 7/20 0.58
NFKB2 Q00653 7/20 0.58
RELA Q04206 7/20 0.58
FOS P01100 5/20 0.58
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATF1 P18846 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL131646 1.00 NFKB1 (0.58) NFKB1JUNNFKB2RELAFOS
SCHEMBL573798 0.87 ALDH1A1 (0.54) NFKB1JUNNFKB2RELAFOS
SCHEMBL423492 0.85 JUN (0.60) NFKB1JUNNFKB2RELAFOS
SCHEMBL4425453 0.84 JUN (0.59) NFKB1JUNNFKB2RELAFOS
SCHEMBL8543216 0.84 KDM4E (0.72) NFKB1JUNNFKB2RELAFOS
SCHEMBL28874828 0.84 MAPT (0.44) NFKB1JUNNFKB2RELAFOS
SCHEMBL3283794 0.83 JUN (0.58) NFKB1JUNNFKB2RELAFOS
SCHEMBL17393706 0.83 JUN (0.58) NFKB1JUNNFKB2RELAFOS
SCHEMBL12844275 0.83 JUN (0.58) NFKB1JUNNFKB2RELAFOS
SCHEMBL12775469 0.82 KDM4E (0.61) NFKB1JUNNFKB2RELAFOS

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
CN-119677716-A Pharmaceutical compositions comprising WRN helicase inhibitors 维维迪恩医疗公司 2025-03-21 CN disclosed
CN-111356690-B Benzamide derivative compound, preparation method thereof, and pharmaceutical composition for preventing or treating inflammatory disease 首尔大学校产学协力团 2023-09-29 CN disclosed