SCHEMBL27557993

SCHEMBL27557993

CC(C(=O)C(C)c1cnccn1)c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 1/20 0.41
MC4R P32245 1/20 0.41
ADRA1A P35348 1/20 0.41
MC3R P41968 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
FFAR2 O15552 1/20 0.38
VNN1 O95497 2/20 0.37
KMT2A Q03164 1/20 0.37
HPGDS O60760 1/20 0.36
TP53 P04637 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
SCHEMBL6037597 0.86 LMNA (0.51) LMNAKDM4ENAPRTHCAR2SMN1; SMN2
SCHEMBL11983421 0.86 LMNA (0.43) LMNAKDM4ENAPRTHCAR2SMN1; SMN2
SCHEMBL10484478 0.84 LMNA (0.50) LMNAKDM4ENAPRTHCAR2SMN1; SMN2
SCHEMBL1809910 0.84 LMNA (0.42) LMNAKDM4ENAPRTHCAR2SMN1; SMN2
SCHEMBL1838866 0.84 ADORA3 (0.47) LMNAKDM4ENAPRTHCAR2SMN1; SMN2
SCHEMBL14776438 0.81 HPGDS (0.41) LMNAKDM4ENAPRTHCAR2SMN1; SMN2
SCHEMBL10387749 0.81 KDM4E (0.41) LMNAKDM4ENAPRTHCAR2SMN1; SMN2
SCHEMBL30838568 0.80 LMNA (0.39) LMNAKDM4ENAPRTHCAR2SMN1; SMN2
SCHEMBL11680658 0.78 SMN1; SMN2 (0.42) LMNAKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL1809911 0.78 LMNA (0.40) LMNAKDM4ENAPRTHCAR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1980578-B Encapsulated hydrophilic compounds FIRMENICH & CIE 2010-10-13 CN disclosed
CN-1997649-B Inhibitors of histone deacetylase METHYLGENE INC 2010-08-11 CN disclosed
CN-100436445-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2008-11-26 CN disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
CN-1997649-A Inhibitors of histone deacetylase METHYLGENE INC (CA) 2007-07-11 CN disclosed
CN-1980578-A Encapsulated hydrophilic compounds FIRMENICH & CIE (CH) 2007-06-13 CN disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 CN disclosed
CN-1329648-A Material consisting of cyanoacrylate and aldehyde-or ketone-condensation products for adhesives, coatings and sealants HENKEL KGAA (DE) 2002-01-02 CN disclosed