SCHEMBL9159459

SCHEMBL9159459

Cc1ccc2c(-c3ccccc3)c([N+](=O)[O-])cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPRT1 P00492 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MITF O75030 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL18644116 0.78 PSMB5 (0.55) PSMB5ALDH1A1NPSR1HTTHPGD
SCHEMBL5767153 0.77 GPR35 (0.46) ALDH1A1NPSR1HPGDMAPTSMN1; SMN2
SCHEMBL20799500 0.77 PSMB5 (0.50) PSMB5ALDH1A1NPSR1HTTHPGD
SCHEMBL9167511 0.76 CRHBP (0.44) MAPTMEN1KMT2A
SCHEMBL9164726 0.76 KMT2A (0.41) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL9159351 0.76 PSMB5 (0.49) PSMB5ALDH1A1NPSR1HTTHPGD
SCHEMBL9161086 0.75 MEN1 (0.39) ALDH1A1HTTMAPTSMN1; SMN2MEN1
SCHEMBL9164365 0.75 MAPT (0.47) ALDH1A1NPSR1HPGDMAPTSMN1; SMN2
SCHEMBL9159546 0.75 DHODH (0.40) ALDH1A1MAPTMEN1KMT2A
SCHEMBL15215125 0.75 TSHR (0.44) ALDH1A1NPSR1MAPTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1028754-C process for preparing quinoline derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-06-07 CN disclosed
EP-0354994-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-25 EP disclosed
US-5254565-A Enzyme inhibitors; anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US disclosed
EP-0354994-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-02-21 EP disclosed
CN-1039416-A Quinoline and preparation thereof and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-02-07 CN disclosed