SCHEMBL9530633

SCHEMBL9530633

FC(Cl)(Cl)Oc1cc[c]cc1

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EPAS1 Q99814 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7463615 0.86 ALDH1A1 (0.38) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL10352471 0.82
SCHEMBL41971 0.80 MAPT (0.42) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL533896 0.80
SCHEMBL28046390 0.78 MAPT (0.41) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL28513358 0.78 MAPT (0.41) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL9325490 0.78
SCHEMBL28109965 0.78 GPR3 (0.42) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL9532553 0.76
SCHEMBL533365 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320733-B1 2-TERT.-BUTYL-5-ISOXAZOLYL METHYLTHIO-3(2H)-PYRIDAZIN-3-ONE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-03-03 EP disclosed
CN-1050878-A Novel silane derivs contains the preparation of this derivative and as the application of agricultural chemicals HOECHST AG (DE) 1991-04-24 CN disclosed
US-4990621-A Insecticides, miticides and nematocides; 3-(3-fluoro-4-phenoxyphenyl, 3-(5-fluoro-3-phenoxypyrid-2-yl) or 3-(3-methyl-4-phenyl prop-1-ene HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0224024-B1 SILANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed
US-4929617-A INSECTICIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0351589-A2 3(2H)-Pyridazinone derivatives for controlling snails BASF Aktiengesellschaft (DE) 1990-01-24 EP disclosed
US-4864027-A INSECTICIDES, NEMATOCIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0320733-A2 2-tert.-butyl-5-isoxazolyl methylthio-3(2H)-pyridazin-3-one derivatives BASF Aktiengesellschaft (DE) 1989-06-21 EP disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 EP disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed
US-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 US disclosed