SCHEMBL6887653

SCHEMBL6887653

CNC(=O)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
RAB9A P51151 2/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TRPA1 O75762 1/20 0.62
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
HTT P42858 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
PLK1 P53350 4/20 0.48
BAZ2B Q9UIF8 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL301051 1.00 MAPT (0.62) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL19167259 0.83 MAPT (0.65) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL19167320 0.83 MAPT (0.65) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL19166975 0.83 MAPT (0.65) MAPTRAB9ACASP3SENP8SENP7
Dimethylamine SCHEMBL11509155 0.82 TRPA1 (0.84) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL15893678 0.82 HDAC8 (0.55) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL17457487 0.82 HDAC6 (0.65) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL17457488 0.82 HDAC6 (0.65) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL6100 0.81 HDAC8 (0.62) MAPTRAB9AHDAC2HDAC8HDAC6
SCHEMBL301050 0.81 TRPA1 (0.62) MAPTRAB9ACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677159-B1 INSTANTANEOUS AND REVERSIBLE COLORIMETRIC MONITORING SOUTHWEST RESEARCH INSTITUTE 2004-01-13 US claimed