SCHEMBL6155564

SCHEMBL6155564

COC(=O)c1cnn(CC(C)C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
SPR P35270 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
LMNA P02545 1/20 0.38
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6154283 0.86 KMT2A (0.53) KMT2ASMN1; SMN2MAPTLMNAPDE4B
SCHEMBL6155240 0.82 MAPK1 (0.45) KMT2ASMN1; SMN2GAAMAPTLMNA
SCHEMBL6156758 0.82 KDM4E (0.41) SPRSMN1; SMN2GAALMNAALDH1A1
SCHEMBL841372 0.82 LMNA (0.54) KMT2ASPRSMN1; SMN2GAAMAPT
SCHEMBL773597 0.82 MAPK14 (0.38) KMT2AGAALMNAPDE4BALDH1A1
SCHEMBL6156185 0.81 LMNA (0.37) KMT2ASMN1; SMN2LMNAPDE4BALDH1A1
SCHEMBL6155187 0.81 TSHR (0.40) SMN1; SMN2LMNAALDH1A1RAB9ACYP1A2
SCHEMBL4715135 0.77 KMT2A (0.45) KMT2ASPRSMN1; SMN2LMNAPDE4B
SCHEMBL6156766 0.77 KMT2A (0.45) KMT2ASPRSMN1; SMN2GAAMAPT
SCHEMBL6155638 0.77 KMT2A (0.45) KMT2ASPRSMN1; SMN2MAPTTP53

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
EP-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP disclosed