SCHEMBL9158252

SCHEMBL9158252

Cc1cccc2ncc([N+](=O)[O-])c(-c3ccccc3Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.38
ELANE P08246 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
PIN1 Q13526 2/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
KLK3 P07288 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9164973 0.80 POLB (0.44) MAPTLMNASMN1; SMN2PIN1ALDH1A1
SCHEMBL9159576 0.80 MAPT (0.40) MAPTHSD17B10LMNANR1H4PIN1
SCHEMBL10147924 0.80 SMN1; SMN2 (0.45) MAPTHSD17B10ELANETSHRSMN1; SMN2
SCHEMBL9164608 0.78 ELANE (0.39) LMNAELANESMN1; SMN2MGAMGAA
SCHEMBL9166566 0.77 MAPT (0.43) MAPTLMNATSHRSMN1; SMN2GAA
SCHEMBL9040983 0.76 PKM (0.36) MAPTHSD17B10LMNASMN1; SMN2PIN1
SCHEMBL10147919 0.76 TSHR (0.46) MAPTHSD17B10ELANETSHRSMN1; SMN2
SCHEMBL9164809 0.75 HSD11B1 (0.41) MAPTHSD17B10LMNASMN1; SMN2NR1H4
SCHEMBL10147928 0.74 TSHR (0.45) MAPTHSD17B10ELANETSHRSMN1; SMN2
SCHEMBL9164770 0.74 HSD11B1 (0.40) MAPTHSD17B10LMNASMN1; SMN2NR1H4

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