SCHEMBL8718696

SCHEMBL8718696

CC(C)OC(=O)c1ccc(N)c(N)c1.CCOC(=O)c1ccc(N)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
PTGER4 P35408 3/20 0.50
ALOX15 P16050 1/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HSD17B2 P37059 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP4F2 P78329 1/20 0.44

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
SCHEMBL30582428 0.89 LMNA (0.65) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL2928248 0.89 CA12 (0.61) LMNACA1CA2CA12CA7
SCHEMBL940578 0.89 LMNA (0.65) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL15124256 0.84 CA1 (0.63) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL19204661 0.81 CA12 (0.58) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL10784992 0.80 MAPT (0.59) LMNACA1CA2CA12CA7
SCHEMBL19306199 0.80 CA12 (0.57) LMNACA1CA2CA12CA7
SCHEMBL14154163 0.79 LMNA (0.56) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL4503546 0.78 ALDH1A1 (0.50) LMNACYP1A2CYP3A4MAOAPTGER4
SCHEMBL5044662 0.78 LMNA (0.59) LMNACYP1A2CYP3A4MAOACA1

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
EP-0870082-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA (US) 1998-10-14 EP disclosed
WO-1997023684-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed