SCHEMBL9159768

SCHEMBL9159768

Cc1ccccc1-c1c([N+](=O)[O-])cnc2ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
GFER P55789 1/20 0.43
HSD11B1 P28845 1/20 0.43
MAP2 P11137 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL9159295 0.88 MAPT (0.45) MAPTLMNAALDH1A1CYP3A4NPSR1
SCHEMBL9162530 0.85 SMN1; SMN2 (0.49) MAPTGFERHSD11B1POLBLMNA
SCHEMBL9161177 0.85 PIN1 (0.47) MAPTGFERMAP2LMNAALDH1A1
SCHEMBL9163285 0.85 PDE7A (0.40) MAPTGFERHSD11B1POLBLMNA
SCHEMBL27287793 0.82 PRKCQ (0.40) MAPTGFERHSD11B1POLBLMNA
SCHEMBL9163305 0.81 KMT2A (0.40) MAPTGFERHSD11B1POLBLMNA
SCHEMBL9166566 0.81 MAPT (0.43) MAPTHSD11B1LMNAALDH1A1CYP3A4
SCHEMBL9164509 0.80 GRM5 (0.46) MAPTGFERPOLBALDH1A1CYP3A4
SCHEMBL9248753 0.79 TSHR (0.42) MAPTGFERLMNAALDH1A1CYP3A4
SCHEMBL9159576 0.79 MAPT (0.40) MAPTHSD11B1POLBLMNAALDH1A1

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-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