SCHEMBL5960705

SCHEMBL5960705

Nc1cc(-c2ncc[nH]2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 6/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NISCH Q9Y2I1 2/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
RECQL P46063 1/20 0.40
MAPK1 P28482 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38

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
SCHEMBL8537263 0.82 TSHR (0.47) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL1837259 0.82 NISCH (0.50) TSHRMAPTMEN1KMT2ANISCH
SCHEMBL7427024 0.81 CSNK1A1 (0.48) MAPTNISCHALDH1A1LMNAKDM4E
SCHEMBL9081929 0.79 MAPT (0.51) MAPTMEN1KMT2ANISCHALDH1A1
SCHEMBL3684600 0.79 NISCH (0.50) TSHRMAPTMEN1KMT2ANISCH
SCHEMBL8539165 0.79 MAPT (0.40) TDP1MAPTMEN1POLBKMT2A
SCHEMBL8137182 0.77 NISCH (0.53) TDP1MEN1KMT2ANISCHALDH1A1
SCHEMBL3973537 0.77 MAPT (0.69) TDP1TSHRMAPTMEN1POLB
SCHEMBL5224122 0.75 ALDH1A1 (0.53) TDP1MAPTMEN1POLBKMT2A
SCHEMBL13736898 0.75 MAPT (0.49) TDP1TSHRMAPTMEN1POLB

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
WO-2006014405-A2 SULFONAMIDE-BASED COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO disclosed