SCHEMBL9711538

SCHEMBL9711538

COc1ccc(C(=O)C2C(=O)CCNC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 8/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 6/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL9711707 0.85 HPD (0.48) HPDKDM4EALDH1A1MEN1KMT2A
SCHEMBL9711540 0.83 HPD (0.49) HPDKDM4EALDH1A1MEN1KMT2A
SCHEMBL9711616 0.83 HPD (0.46) HPDALDH1A1MEN1KMT2AMAPK1
SCHEMBL9711516 0.82 HPD (0.48) HPDALDH1A1MEN1KMT2ANPC1
SCHEMBL9711711 0.82 HPD (0.48) HPDKDM4EALDH1A1MAPK1RAB9A
SCHEMBL9711660 0.82 HPD (0.51) HPDALDH1A1MAPT
SCHEMBL8467136 0.82 HPD (0.46) HPDKDM4EALDH1A1MEN1KMT2A
SCHEMBL9711603 0.81 KDM4E (0.43) HPDKDM4EALDH1A1MEN1KMT2A
SCHEMBL9711602 0.81 HPD (0.46) HPDMEN1KMT2AMAPK1MAPT
SCHEMBL9711608 0.80 KMT2A (0.47) HPDKDM4EALDH1A1MEN1KMT2A

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