SCHEMBL9674643

SCHEMBL9674643

Cc1c(C(F)(F)F)noc1O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
CRHR2 Q13324 1/20 0.32
MLYCD O95822 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
SCHEMBL12691083 0.79
SCHEMBL19053585 0.76 MLYCD (0.30) MLYCD
SCHEMBL17054324 0.74 ALDH1A1 (0.31)
SCHEMBL6294438 0.73 MLYCD (0.40) MLYCD
SCHEMBL9880646 0.67
SCHEMBL9673517 0.64 PKM (0.38) SMN1; SMN2
SCHEMBL6610363 0.64 MLYCD (0.33) MLYCD
SCHEMBL738718 0.64 ESR1 (0.34) MEN1LMNAHSP90AA1HSP90AB1KMT2A
SCHEMBL6610361 0.61 KMT2A (0.46) MEN1KMT2A
SCHEMBL21169828 0.60 MLYCD (0.35) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1018922-B PROCESS FOR PREPARING 3-PERFLUOROALKYL-5-SUBSTD-OXY-ISOXAZOLE DERIVS SHIONOGI & CO (JP) 1992-11-04 CN disclosed
EP-0271975-B1 3-PERFLUOROALKYL-ISOXAZOL-5-YL-OXYCARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-06-24 EP disclosed
US-4888044-A PREEMERGENCE HERBICIDES SHIONOGI & CO., LTD. (JP) 1989-12-19 US disclosed
EP-0271975-A1 3-Perfluoroalkyl-isoxazol-5-yl-oxycarboxylic acid derivatives, processes for their preparation and their use as herbicides SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1988-06-22 EP disclosed
CN-87106464-A 3-perfluoroalkyl-5-replacement-oxygen-different- triazole derivative its preparation method and contain the weedicide of this compound 1988-03-23 CN disclosed