SCHEMBL19961979

SCHEMBL19961979

Cc1cnc2c(c1)cc(C)c1cccnc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.72
CCR8 P51685 7/20 0.72
CCR5 P51681 5/20 0.65
L3MBTL1 Q9Y468 4/20 0.51
HSP90AA1 P07900 2/20 0.48
NPC1 O15118 1/20 0.48
PSMD14 O00487 3/20 0.45
COPS5 Q92905 3/20 0.45
HTT P42858 2/20 0.45
SLC6A2 P23975 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SLC40A1 Q9NP59 1/20 0.41
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL371564 0.84 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1HSP90AA1
Water SCHEMBL30586101 0.82 CCR1 (0.96) CCR1CCR8CCR5L3MBTL1HSP90AA1
SCHEMBL31020233 0.82 CCR1 (0.96) CCR1CCR8CCR5L3MBTL1HSP90AA1
SCHEMBL13701006 0.81 CCR1 (0.58) CCR1CCR8CCR5L3MBTL1HSP90AA1
Phenanthroline SCHEMBL21518505 0.81 CCR1 (0.93) CCR1CCR8CCR5L3MBTL1HSP90AA1
SCHEMBL21560752 0.79 CCR1 (0.69) CCR1CCR8CCR5L3MBTL1HSP90AA1
SCHEMBL30492679 0.79 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1HSP90AA1
SCHEMBL8756864 0.79 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1HSP90AA1
SCHEMBL27918801 0.78 CCR1 (0.66) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL29193842 0.78 CCR1 (0.66) CCR1CCR8CCR5L3MBTL1PSMD14

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-20180073154-A1 REDUCTION CATALYST, REDUCTION REACTOR AND REDUCTION METHOD KABUSHIKI KAISHA TOSHIBA (JP) 2018-03-15 US disclosed