SCHEMBL9546064

SCHEMBL9546064

Cc1ccnc2c1ccc1cccnc12.O=[N+]([O-])c1cc2cccnc2c2ncccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.75
ALDH1A1 P00352 7/20 0.75
L3MBTL1 Q9Y468 5/20 0.75
CCR1 P32246 4/20 0.65
CCR8 P51685 4/20 0.65
CCR5 P51681 3/20 0.65
MEN1 O00255 10/20 0.56
KMT2A Q03164 10/20 0.56
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
CTSB P07858 3/20 0.56
IDO1 P14902 2/20 0.56
TDO2 P48775 2/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 6/20 0.51
HSP90AA1 P07900 3/20 0.51
HTT P42858 3/20 0.51
PKM P14618 3/20 0.51
OPRK1 P41145 2/20 0.51
CRHBP P24387 1/20 0.51

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
SCHEMBL670669 0.87 MAPT (1.00) MAPTALDH1A1L3MBTL1CCR1CCR8
SCHEMBL16584943 0.85 MAPT (0.97) MAPTALDH1A1L3MBTL1CCR1CCR8
Water SCHEMBL7195661 0.85 MAPT (0.97) MAPTALDH1A1L3MBTL1CCR1CCR8
SCHEMBL15667133 0.85 MAPT (0.97) MAPTALDH1A1L3MBTL1CCR1CCR8
SCHEMBL15667134 0.85 MAPT (0.97) MAPTALDH1A1L3MBTL1CCR1CCR8
SCHEMBL8937207 0.84 MAPT (0.88) MAPTALDH1A1L3MBTL1CCR1CCR8
SCHEMBL29651350 0.82 MAPT (0.69) MAPTALDH1A1L3MBTL1CCR1CCR8
SCHEMBL11766895 0.82 MAPT (0.69) MAPTALDH1A1L3MBTL1CCR1CCR8
SCHEMBL912010 0.81 CCR1 (1.00) MAPTALDH1A1L3MBTL1CCR1CCR8
Sulfuric Acid SCHEMBL8602226 0.80 MAPT (0.86) MAPTALDH1A1L3MBTL1CCR1CCR8

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
EP-0326835-B1 PORPHYRIC INSECTICIDES UNIV ILLINOIS (US) 1993-08-11 EP claimed