SCHEMBL9712669

SCHEMBL9712669

CC(C)(C)c1ccccc1C(=O)c1cccc([C]=O)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GALR3 O60755 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 3/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CA2 P00918 1/20 0.31
ELANE P08246 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL6212223 0.81 ALDH1A1 (0.47) TSHRALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL9712499 0.80 MAPT (0.46) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL2355479 0.80 LMNA (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL9712750 0.78 CA2 (0.34) NPSR1TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL9712433 0.78 PDK1 (0.34) NPSR1TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL1148444 0.74 ALDH1A1 (0.50) NPSR1TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL5082416 0.73 TTR (0.41) NPSR1TSHRALDH1A1TDP1MEN1
SCHEMBL9712448 0.73 MAPT (0.40) NPSR1ALDH1A1TDP1MEN1KMT2A
SCHEMBL30663932 0.73 ALDH1A1 (0.48) TSHRALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL9079084 0.71 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2HTTMAPT

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