SCHEMBL28053397

SCHEMBL28053397

CCCCc1cnn(-c2ccc(C)c(C)c2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 3/20 0.39
MAPT P10636 6/20 0.38
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 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
SCHEMBL27721618 0.84 RAB9A (0.50) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL23399736 0.83 ALDH1A1 (0.42) ALDH1A1GAALMNAMAPTTP53
SCHEMBL27984253 0.81 ELANE (0.38) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL27678182 0.80 KDM4E (0.52) KMT2AMEN1LMNASMN1; SMN2HPGD
SCHEMBL27676109 0.80 RAB9A (0.49) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL28784327 0.78 MAPK14 (0.48) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL27707913 0.77 HPGD (0.46) ALDH1A1LMNAMAPTTP53SMN1; SMN2
SCHEMBL28766880 0.75 MAPT (0.56) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL23398388 0.74 MAPT (0.42) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL27728424 0.73 ADK (0.34) ALDH1A1TP53HPGD

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