SCHEMBL29975873

SCHEMBL29975873

FC(F)(F)Oc1ccccc1-c1nnc(C#Cc2cccnc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
PDE2A O00408 1/20 0.36
DHODH Q02127 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL6780752 0.72 L3MBTL1 (0.56) MAPTL3MBTL1KDM4EPDE2ADHODH
SCHEMBL16445741 0.69 CYP11B1 (0.51) MAPTSMN1; SMN2SCN9A
SCHEMBL30278500 0.66 GRM5 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3796332 0.64 CYP2A6 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4925969 0.63 NPC1 (0.54) MAPTL3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL401836 0.62 GRM5 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31673222 0.62 GRM5 (0.64) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7701143 0.62 ALDH1A1 (0.50) MAPTL3MBTL1KDM4ECNR2ALDH1A1
SCHEMBL12666659 0.62 L3MBTL1 (0.52) MAPTL3MBTL1KDM4EALDH1A1HSD11B1
SCHEMBL16157020 0.62 EGFR (0.71) MAPTL3MBTL1KDM4ECYP1A2CYP2C9

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-113521291-B Application of ZNF143-MDIG-CDC6 axis in hepatocellular carcinoma 上海市肿瘤研究所 2022-11-29 CN disclosed