SCHEMBL10696733

SCHEMBL10696733

Cc1cc2c([N+](=O)[O-])cc3cccnc3c2nc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
ALDH1A1 P00352 7/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HSP90AA1 P07900 3/20 0.51
HSP90AB1 P08238 1/20 0.51
PDE10A Q9Y233 1/20 0.50
KDM4E B2RXH2 4/20 0.49
CTSB P07858 2/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CCR1 P32246 2/20 0.48
CCR8 P51685 2/20 0.48
CYP2C19 P33261 5/20 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
SCHEMBL670669 0.81 MAPT (1.00) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15667134 0.80 MAPT (0.97) MAPTALDH1A1L3MBTL1MEN1KMT2A
Water SCHEMBL7195661 0.80 MAPT (0.97) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16584943 0.80 MAPT (0.97) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15667133 0.80 MAPT (0.97) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8937207 0.79 MAPT (0.88) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9546064 0.78 MAPT (0.75) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15712118 0.77 ALDH1A1 (0.74) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27879503 0.76 CCR1 (0.54) MAPTALDH1A1L3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL27612640 0.75 PDE10A (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A

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-0282893-A2 Pesticides based on 1,10-phenanthrolines BAYER AG (DE) 1988-09-21 EP disclosed