SCHEMBL12499698

SCHEMBL12499698

CCOC(=O)c1c(Cc2ccc(Cl)cc2)nn(C)c1C(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
TNF P01375 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ALOX12 P18054 1/20 0.46
CCR6 P51684 1/20 0.46
RUNX1 Q01196 1/20 0.46
CBFB Q13951 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
NOD2 Q9HC29 1/20 0.46
GPR35 Q9HC97 1/20 0.46
NOD1 Q9Y239 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL12499589 0.88 ALOX5 (0.43) MAPTLMNANPC1RAB9ATP53
SCHEMBL12499656 0.87 MAPT (0.43) MAPTLMNAALDH1A1KDM4EHSP90AA1
SCHEMBL12499324 0.84 MAPT (0.40) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL12498738 0.82 MAPT (0.47) MAPTLMNANPC1RAB9ATP53
SCHEMBL12499319 0.79 KDM4E (0.43) MAPTLMNATP53ALDH1A1KDM4E
SCHEMBL14938276 0.78 KMT2A (0.39) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL15165780 0.73 KMT2A (0.40) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL12499862 0.73 PLA2G2A (0.45) MAPTLMNANPC1RAB9ATP53
SCHEMBL12499865 0.72 CCR2 (0.37) KMT2A
SCHEMBL12499400 0.71 VDR (0.49) MAPTLMNANPC1RAB9AKDM4E

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
WO-2012103071-A2 COMPOUNDS AND COMPOSITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-02 WO disclosed