SCHEMBL29378798

SCHEMBL29378798

N#Cc1cccc(F)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.41
PGR P06401 1/20 0.41
SLC22A12 Q96S37 1/20 0.37
CUL4A Q13619 1/20 0.37
PDK2 Q15119 1/20 0.37
BCAT1 P54687 1/20 0.37
TRPV4 Q9HBA0 2/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL1994873 1.00 AR (0.41) ARPGRSLC22A12CUL4APDK2
SCHEMBL25983090 0.87 AR (0.46) ARPGRSLC22A12PDK2TSHR
SCHEMBL17030741 0.82 TSHR (0.39) ARPGRSLC22A12CUL4APDK2
SCHEMBL2047143 0.79 HCAR1 (0.35)
SCHEMBL20455609 0.79 TRPA1 (0.33)
SCHEMBL29890653 0.79 TRPA1 (0.33)
SCHEMBL3911267 0.79 AR (0.46) ARPGRSLC22A12
SCHEMBL2658869 0.78 AR (0.40) ARPGRPDK2TSHR
SCHEMBL5228912 0.78 TSHR (0.54) ARPGRTSHR
SCHEMBL16960191 0.78 AR (0.40) ARPGRPDK2TSHR

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-114014850-A Prudelamine intermediate, synthesis method thereof and method for synthesizing prasulamine from intermediate 山东汇海医药化工有限公司 2022-02-08 CN claimed
CN-118574821-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2024-08-30 CN disclosed
CN-116848116-A Novel compounds as dual androgen receptor and phosphodiesterase inhibitors 日东制药株式会社 2023-10-03 CN disclosed
CN-116348458-A Imidazolylpyrimidinylamine compounds as CDK2 inhibitors 因赛特公司 2023-06-27 CN disclosed
WO-2022063437-A1 COMPOSITIONS FOR THE TREATMENT OF SALIVARY GLAND CARCINOMA JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 WO disclosed