SCHEMBL28053394

SCHEMBL28053394

CCCCNc1ccnn1-c1ccc(C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.38
SOAT2 O75908 2/20 0.37
SOAT1 P35610 2/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL5266895 0.84 CYP2C9 (0.44) TP53LMNAALDH1A1NPC1HTT
SCHEMBL27678180 0.80 OXTR (0.44) TP53LMNAALDH1A1NPC1HTT
SCHEMBL27676108 0.80 SOAT2 (0.52) TP53LMNAALDH1A1NPC1RAB9A
SCHEMBL27742973 0.80 KDM4E (0.39) TP53LMNAALDH1A1NPC1RAB9A
SCHEMBL28784326 0.78 SOAT2 (0.41) TP53LMNAALDH1A1NPC1HTT
SCHEMBL15716523 0.78 CYP1A2 (0.49) TP53LMNAALDH1A1NPC1HTT
SCHEMBL4437551 0.77 EIF2AK4 (0.42) TP53ALDH1A1NPC1HTTRAB9A
SCHEMBL27463663 0.77 CYP1A2 (0.34) TP53LMNAALDH1A1NPC1RAB9A
SCHEMBL27707912 0.77 HPGD (0.55) TP53LMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27728421 0.76 TLR7 (0.41) TP53LMNAALDH1A1NPC1RAB9A

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-105377847-A Kinase inhibitors CHIESI FARM SPA 2016-03-02 CN disclosed