SCHEMBL30744808

SCHEMBL30744808

CC(F)(F)c1cccnc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MYC P01106 1/20 0.46
CYP1A2 P05177 1/20 0.46
NAPRT Q6XQN6 3/20 0.42
DHODH Q02127 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ASPH Q12797 2/20 0.41
KDM8 Q8N371 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
NFE2L2 Q16236 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL30595866 0.89 KDM4E (0.52) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL5241823 0.89 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL3242526 0.87 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL286833 0.85 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL11919498 0.84 NFE2L2 (0.39) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL3058112 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL28244005 0.78 BRD4 (0.55) KDM4EALDH1A1MAPTTSHRNPSR1
SCHEMBL11532432 0.76 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL9696695 0.74 KDM4E (0.44) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL14208205 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MAPTL3MBTL1CYP3A4

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed