SCHEMBL9711519

SCHEMBL9711519

CSc1ccc(C2CC(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(=O)N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
HPD P32754 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
KDR P35968 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
FPR1 P21462 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
SCHEMBL9711666 0.89 HPGD (0.45) HPDSMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL9711509 0.87 HPGD (0.43) HPDSMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL9711468 0.87 SMN1; SMN2 (0.38) HPDSMN1; SMN2MAPTHPGDMEN1
SCHEMBL9711571 0.87 FLT1 (0.41) HPDSMN1; SMN2MAPTHPGDCYP1A2
SCHEMBL9711462 0.86 SMN1; SMN2 (0.38) HPDSMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL9711558 0.85 HPD (0.41) HPDSMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL9711544 0.84 HPD (0.40) HPDSMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL9711492 0.81 HPD (0.43) HPDSMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL9711475 0.80 TRPV1 (0.42) TRPV1HPDSMN1; SMN2MAPTL3MBTL1
SCHEMBL9711701 0.79 ALDH1A1 (0.43) SMN1; SMN2MAPTL3MBTL1HPGDCYP1A2

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-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed