SCHEMBL9711524

SCHEMBL9711524

CC(=O)c1ccc(C(=O)C2C(=O)CC(c3ccccc3)NC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HPD P32754 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 3/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 1/20 0.35
MITF O75030 1/20 0.35
NR4A1 P22736 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 0.86 HPGD (0.43) MAPTMEN1KMT2AHPDALDH1A1
SCHEMBL9711609 0.86 HPD (0.40) HPDALDH1A1CES2NR4A1LMNA
SCHEMBL9711510 0.85 MAPT (0.43) MAPTMEN1KMT2AHPDAKR1C3
SCHEMBL9711636 0.85 KMT2A (0.41) MEN1KMT2AHPDALDH1A1NR4A1
SCHEMBL9711506 0.83 HPD (0.61) MAPTMEN1KMT2AHPDAKR1C3
SCHEMBL9711693 0.82 MEN1 (0.42) MAPTMEN1KMT2AHPDALDH1A1
SCHEMBL9711701 0.80 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9711544 0.79 HPD (0.40) MAPTMEN1KMT2AHPDALDH1A1
SCHEMBL9711666 0.78 HPGD (0.45) MAPTHPDL3MBTL1POLBTDP1
SCHEMBL9711616 0.78 HPD (0.46) MAPTMEN1KMT2AHPDAKR1C3

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