SCHEMBL11001047

SCHEMBL11001047

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.65
KMT2A Q03164 11/20 0.65
MAPT P10636 7/20 0.65
LMNA P02545 6/20 0.65
HTT P42858 4/20 0.65
GAA P10253 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
RAB9A P51151 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
XBP1 P17861 1/20 0.65
CCR6 P51684 1/20 0.65
PKM P14618 1/20 0.63
MAPK1 P28482 2/20 0.60
NPC1 O15118 2/20 0.60
MYOC Q99972 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 3/20 0.56
EPHX1 P07099 2/20 0.51
EPHX2 P34913 2/20 0.51
CA12 O43570 2/20 0.50

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
SCHEMBL11007631 0.89 MEN1 (0.67) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11001115 0.89 MEN1 (0.76) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11007212 0.87 MEN1 (0.65) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11006538 0.86 MEN1 (0.69) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8104833 0.83 P2RY1 (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4682789 0.83 MEN1 (0.68) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4682794 0.83 MEN1 (0.68) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11000732 0.80 EPHX1 (0.69) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4233557 0.79 MEN1 (0.60) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6940443 0.79 MEN1 (0.62) MEN1KMT2AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015110-B1 ANTICOCCIDIAL COMPOSITION, CARBANILIDES AND METHOD OF PREPARING THEM ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed
US-4526997-A Amino, nitro, fluoro substituted carbanilides DOHERTY GEORGE O P O 1985-07-02 US disclosed
US-4468380-A Anticoccidial combinations comprising polyether antibiotics and carbanilides ELI LILLY AND COMPANY (US) 1984-08-28 US disclosed
EP-0015110-A2 Anticoccidial composition, carbanilides and method of preparing them ELI LILLY AND COMPANY (US) 1980-09-03 EP disclosed