SCHEMBL28210263

SCHEMBL28210263

O=Nc1cn(Cc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.56
MAPT P10636 3/20 0.46
MAPK10 P53779 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
MIF P14174 1/20 0.41
KCNN4 O15554 2/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
ACP3 P15309 1/20 0.40

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
SCHEMBL15707369 0.80 KDM4C (0.56) KDM4CMAPTKDM4EALDH1A1GAA
SCHEMBL18971775 0.80 KDM4C (0.56) KDM4CKDM4EALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL18940405 0.78 KDM4C (0.55) KDM4CKDM4EALDH1A1GAALMNA
SCHEMBL30504022 0.78 KDM4C (0.67) KDM4CKDM4EALDH1A1GAACYP3A4
SCHEMBL21314979 0.78 KDM4C (0.67) KDM4CKDM4EALDH1A1GAACYP3A4
SCHEMBL18940385 0.77 KDM4C (0.54) KDM4CKDM4EALDH1A1GAALMNA
SCHEMBL20083647 0.76 KDM4C (0.53) KDM4CMAPTKDM4EALDH1A1GAA
SCHEMBL18612868 0.72 KDM4C (0.69) KDM4CKDM4EALDH1A1GAALMNA
SCHEMBL16032991 0.72 KDM4C (1.00) KDM4C
SCHEMBL18940383 0.72 KDM4C (0.53) KDM4CCYP3A4CYP2C9

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-107922386-A 1,4 disubstituted imidazolium derivatives 大日本住友制药株式会社 2018-04-17 CN disclosed
CN-107922348-A Bicyclic heterocyclic amide derivatives 大日本住友制药株式会社 2018-04-17 CN disclosed