SCHEMBL9711701

SCHEMBL9711701

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 2/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
APP P05067 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9711509 0.92 HPGD (0.43) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL9711693 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2APKMGAA
SCHEMBL9711636 0.87 KMT2A (0.41) ALDH1A1MEN1KMT2AMGLL
SCHEMBL9711544 0.84 HPD (0.40) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL9711666 0.82 HPGD (0.45) SMN1; SMN2MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL9711609 0.81 HPD (0.40) ALDH1A1
SCHEMBL9711524 0.80 MAPT (0.42) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL9711519 0.79 TRPV1 (0.42) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL9711571 0.79 FLT1 (0.41) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL9711468 0.79 SMN1; SMN2 (0.38) ALDH1A1MEN1KMT2AGAASMN1; SMN2

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