SCHEMBL8627153

SCHEMBL8627153

COC(=O)c1cc(NC(=O)CC#N)cc(C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 8/20 0.54
LMNA P02545 1/20 0.53
HSD17B10 Q99714 4/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
BLM P54132 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN11 Q06124 1/20 0.48

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
SCHEMBL782947 0.81 GAA (0.51) CYP1A2CYP2C19KDM4EHSD17B10MEN1
SCHEMBL12270435 0.81 KDM4E (0.62) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL6316001 0.79 KMT2A (0.65) CYP1A2CYP2C19KDM4EALDH1A1HSD17B10
SCHEMBL5807060 0.78 ALDH1A1 (0.61) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL5807065 0.78 KDM4E (0.58) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL14660068 0.78 MEN1 (0.60) CYP1A2CYP2C19KDM4EALDH1A1LMNA
SCHEMBL1819402 0.77 KDM4E (0.61) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL5099786 0.76 CYP2C19 (0.71) CYP1A2CYP2C19KDM4EALDH1A1HSD17B10
SCHEMBL22845009 0.76 KMT2A (0.61) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL14660009 0.76 MEN1 (0.57) CYP1A2CYP2C19KDM4EALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716446-A PRINTING INK; TONERS; POWDER COATING HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
US-5698705-A BASED ON AMINOBENZIMIDAZOLONES HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
US-4746740-A Isoindoline colorants BASF AKTIENGESELLSCHAFT (DE) 1988-05-24 US disclosed