SCHEMBL9770882

SCHEMBL9770882

COC(=O)CSc1cc(NC(=O)CF)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
ALDH1A1 P00352 9/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41

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
SCHEMBL10513332 0.80 ALDH1A1 (0.52) ALDH1A1GLAKMT2AMEN1HPGD
SCHEMBL9198229 0.79 ALDH1A1 (0.55) ALDH1A1GLAKMT2APOLBHPGD
SCHEMBL9666829 0.74 ALDH1A1 (0.52) ALDH1A1GLAKMT2AMEN1POLB
SCHEMBL5750683 0.72 APEX1 (0.58) ALDH1A1GLAKMT2AMEN1POLB
SCHEMBL9843646 0.72 LMNA (0.66) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL10514978 0.71 ALDH1A1 (0.46) ALDH1A1GLAKMT2AMEN1HPGD
SCHEMBL8445210 0.71 HTT (0.55) THRBALDH1A1KMT2AMEN1POLB
SCHEMBL3780489 0.71 ALDH1A1 (0.56) ALDH1A1GLAKMT2AMEN1POLB
SCHEMBL30954114 0.71 ALDH1A1 (0.51) ALDH1A1GLAKMT2AMEN1POLB
SCHEMBL9770859 0.71 ALDH1A1 (0.48) ALDH1A1GLAKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed