SCHEMBL8992728

SCHEMBL8992728

CCOC(=O)N(CC(OC=O)OCC)c1ccc(N)cn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAOA P21397 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL8992720 0.72 MAOA (0.36) LMNACYP1A2CYP3A4MAOAKDM4E
SCHEMBL8992767 0.72 LMNA (0.42) LMNACYP1A2CYP3A4MAOAKDM4E
SCHEMBL594840 0.67 HDAC1 (0.48) LMNACYP1A2CYP3A4MAOAKDM4E
SCHEMBL19674226 0.64 AOC3 (0.34) MAOAKDM4ERAB9A
SCHEMBL24100191 0.63 GBA1 (0.53) LMNAKDM4EALDH1A1HTTRAB9A
SCHEMBL11073272 0.62 ALDH1A1 (0.43) CYP1A2CYP3A4ALDH1A1
SCHEMBL29392374 0.62 SSTR4 (0.34) KDM4ERAB9A
SCHEMBL23620907 0.62 SSTR4 (0.34) KDM4ERAB9A
SCHEMBL2790729 0.62 HCAR3 (0.39) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL594839 0.61 KDM5B (0.35) LMNACYP1A2CYP3A4MAOAKDM4E

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-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP disclosed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP disclosed