SCHEMBL24519737

SCHEMBL24519737

CCCN1c2ccc(NS(=O)(=O)Cc3c(F)c(F)c(C)c(F)c3F)c(C)c2C(C)OC1O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRD4 O60885 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
SCHEMBL24519731 0.93
SCHEMBL20616512 0.80 BRD4 (0.36) BRAFCYP3A4CYP2C9CYP2C19BRD4
SCHEMBL20616507 0.77 BRD4 (0.34) BRAFBRD4
SCHEMBL20616515 0.76 BRD4 (0.35) BRAFCYP3A4CYP2C9CYP2C19BRD4
SCHEMBL24519729 0.75
SCHEMBL24519711 0.75
SCHEMBL20616516 0.75 BRD4 (0.33) BRAFBRD4
SCHEMBL24519734 0.74 NR3C2 (0.32) BRD4
SCHEMBL20616513 0.74 BRD4 (0.34) BRAFBRD4
SCHEMBL20616514 0.73 METAP2 (0.33) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398940-B1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2022-06-22 EP disclosed