SCHEMBL9799617

SCHEMBL9799617

ON=C(c1ccc(Cl)cc1)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
MAPK1 P28482 2/20 0.39
SRD5A2 P31213 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
CYP2A6 P11509 1/20 0.35
GSK3B P49841 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL9799614 1.00 MEN1 (0.49) MEN1KMT2ACES2CES1MAPK1
SCHEMBL10791265 0.81 MEN1 (0.47) MEN1KMT2ACES2CES1MAPK1
SCHEMBL11315381 0.78 MEN1 (0.53) MEN1KMT2ACES2CES1MAPK1
SCHEMBL11315380 0.78 MEN1 (0.53) MEN1KMT2ACES2CES1MAPK1
SCHEMBL10340700 0.78 MEN1 (0.53) MEN1KMT2ACES2CES1MAPK1
SCHEMBL11658828 0.77 ALDH1A1 (0.40) MEN1KMT2ACES2CES1SRD5A2
SCHEMBL11658831 0.77 ALDH1A1 (0.40) MEN1KMT2ACES2CES1SRD5A2
SCHEMBL12065389 0.75 MAPT (0.41) MEN1KMT2AMAPK1ATML3MBTL1
SCHEMBL11661442 0.72 MEN1 (0.55) MEN1KMT2AMAPK1SRD5A2TSHR
SCHEMBL11661439 0.72 MEN1 (0.55) MEN1KMT2AMAPK1SRD5A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
US-4707182-A Phenoxine-ketal ethers, compositions containing them and the use thereof CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US disclosed
US-4117154-A INSECTICIDES, ACARICIDES, NEMATOCIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 US disclosed