SCHEMBL7420392

SCHEMBL7420392

O=C1Nc2ccc([N+](=O)[O-])cc2C1=CCc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.69
PDGFRB P09619 1/20 0.57
JAK3 P52333 1/20 0.57
PKM P14618 1/20 0.54
PKLR P30613 1/20 0.54
GSK3B P49841 4/20 0.50
DHFR P00374 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NOX4 Q9NPH5 1/20 0.48
NTRK1 P04629 1/20 0.48
SYK P43405 1/20 0.48
CAPN9 O14815 1/20 0.46
CASP3 P42574 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CDK2 P24941 3/20 0.45
CCNE1 P24864 1/20 0.45
TGM2 P21980 1/20 0.44

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
SCHEMBL5999742 0.82 RET (1.00) RETPDGFRBJAK3GSK3BDHFR
SCHEMBL5999745 0.82 RET (1.00) RETPDGFRBJAK3GSK3BDHFR
SCHEMBL1520056 0.74 MEN1 (0.49) RETPDGFRBMEN1KMT2ANTRK1
SCHEMBL6000879 0.73 PDGFRB (1.00) RETPDGFRBJAK3GSK3BNTRK1
SCHEMBL6000878 0.73 PDGFRB (1.00) RETPDGFRBJAK3GSK3BNTRK1
SCHEMBL1520137 0.72 IDO1 (0.50) RETPDGFRBMEN1KMT2ANTRK1
SCHEMBL3757258 0.71 GSK3B (0.74) RETPDGFRBJAK3GSK3BMEN1
SCHEMBL3757263 0.71 GSK3B (0.74) RETPDGFRBJAK3GSK3BMEN1
SCHEMBL31219496 0.71 GSK3B (0.74) RETPDGFRBJAK3GSK3BMEN1
SCHEMBL7876094 0.71 RET (0.77) RETPDGFRBJAK3GSK3BDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769947-A4 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN INC (US) 1998-09-30 EP disclosed
EP-0769947-A1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE Sugen, Inc. (US) 1997-05-02 EP disclosed
WO-1996040116-A1 INDOLINONE COMPOUNDS FOR THE TREATMENT OF DISEASE SUGEN, INC. (US) 1996-12-19 WO disclosed