SCHEMBL27490484

SCHEMBL27490484

CCCCOc1nc(N(N)C(N)=O)[n+]([O-])c(N(N)C(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TLR7 Q9NYK1 2/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL27461054 0.80 HTT (0.42) MAPK8NPC1MEN1NR1I2LMNA
SCHEMBL4139670 0.71 CDK1 (0.40) PTGS1PTGS2CA12CA1CA2
SCHEMBL598441 0.67 CYP2D6 (0.43) PTGS1PTGS2NPC1LMNACYP3A4
SCHEMBL808604 0.63 CDK1 (0.47) TLR7NPC1LMNA
SCHEMBL9065880 0.63 LTA4H (0.42) MAPK8PTGS1PTGS2TSHRTLR7
SCHEMBL11270818 0.63 LTA4H (0.42) MAPK8PTGS1PTGS2TSHRTLR7
SCHEMBL28844151 0.62 MEN1 (0.39) MAPK8MEN1LMNAMAPTKMT2A
SCHEMBL28110847 0.62 LMNA (0.30) LMNA
SCHEMBL17584792 0.61 LTA4H (0.41) PTGS1PTGS2NPC1MEN1CYP3A4
SCHEMBL899058 0.61 NR5A1 (0.43) MAPK8TSHR

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
CN-1210460-A Preparations stimulating nail growth HOECHST AG (DE) 1999-03-10 CN claimed
CN-1239157-C Formulation for promoting nail growth SANOFFY AVENTIS DEUTSCHLAND GM (DE) 2006-02-01 CN disclosed
CN-1210460-A Preparations stimulating nail growth HOECHST AG (DE) 1999-03-10 CN disclosed