SCHEMBL11063459

SCHEMBL11063459

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
HSP90AA1 P07900 1/20 0.64
MAPT P10636 7/20 0.53
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
HTT P42858 2/20 0.50
CXCR2 P25025 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KIF11 P52732 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47
CASP7 P55210 1/20 0.45
POLB P06746 2/20 0.43

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
SCHEMBL11593456 0.90 MEN1 (0.51) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL11593897 0.89 MAPT (0.54) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL11137496 0.88 MEN1 (0.49) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL11587736 0.88 MAPK1 (0.49) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL11235688 0.87 KIF11 (0.62) KMT2AMEN1HSP90AA1MAPTMAPK1
SCHEMBL10527347 0.86 MAPT (0.56) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL11587443 0.86 MEN1 (0.54) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL11232334 0.86 MAPT (0.59) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL11587093 0.86 MEN1 (0.48) KMT2AMEN1HSP90AA1MAPTALDH1A1
SCHEMBL11587743 0.86 MEN1 (0.48) KMT2AMEN1HSP90AA1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 US claimed
US-4117167-A INSECTICIDES, ACARICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US claimed
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
US-4407820-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1983-10-04 US disclosed
EP-0026743-B1 POLYSUBSTITUTED DIPHENYL AMINES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1983-05-25 EP disclosed
EP-0060951-A1 Improvements in or relating to N-alkylated diphenylamine derivatives ELI LILLY AND COMPANY (US) 1982-09-29 EP disclosed
US-4316988-A CHEMICAL INTERMEDIATE FOR RODENTICIDAL DIPHENYLAMINES ELI LILLY AND COMPANY (US) 1982-02-23 US disclosed
US-4311710-A Anticoccidial formulation and method ELI LILLY AND COMPANY (US) 1982-01-19 US disclosed
US-4309425-A Miticidal, insecticidal, ovicidal and fungicidal N-(N',N'-diarylaminothio)sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-05 US disclosed
US-4304791-A INSECTICIDES, ANTIPROTOZOA AGENTS, AND PARASITICIDES ELI LILLY AND COMPANY (US) 1981-12-08 US disclosed
EP-0033580-A1 Novel benzenamines, their preparation and fungicide and anticoccidial compositions containing them ELI LILLY AND COMPANY (US) 1981-08-12 EP disclosed
EP-0026743-A1 Polysubstituted diphenyl amines, their preparation and their use CIBA-GEIGY AG (CH) 1981-04-08 EP disclosed
EP-0024906-A1 Miticidal, insecticidal, ovicidal and fungicidal diarylaminothio derivatives, and preparation, compositions and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-11 EP disclosed
US-4187318-A 2,4-DINITRO-6-TRIFLUOROMETHYL- ELI LILLY AND COMPANY (US) 1980-02-05 US disclosed
US-4117167-A INSECTICIDES, ACARICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US disclosed
US-4117167-A INSECTICIDES, ACARICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US disclosed