SCHEMBL9712448

SCHEMBL9712448

CCc1ccc(C(=O)c2cccc([C]=O)c2[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
MAPK1 P28482 2/20 0.40
PLK1 P53350 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HTT P42858 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
GAA P10253 2/20 0.34
ALPG P10696 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HNF4A P41235 1/20 0.34

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
SCHEMBL5082416 0.83 TTR (0.41) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL9712502 0.79 PLK1 (0.41) MAPTKMT2AMEN1PLK1ALDH1A1
SCHEMBL9712357 0.79 HTT (0.43) MAPTKMT2AMEN1PLK1ALDH1A1
SCHEMBL9712330 0.79 PLK1 (0.41) MAPTKMT2AMEN1PLK1ALDH1A1
SCHEMBL9712479 0.75 SMN1; SMN2 (0.46) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6212223 0.74 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL2355479 0.73 LMNA (0.47) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL9712499 0.73 MAPT (0.46) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL9712669 0.73 NPSR1 (0.35) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL27907988 0.72 AKR1C3 (0.43) MAPTKMT2AMEN1MAPK1ALDH1A1

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
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed