SCHEMBL28138292

SCHEMBL28138292

CN1c2ccccc2N(C)C1C(F)(F)C(F)(F)C(F)(F)F.COS(=O)(=O)O

nearest known ligand 0.32

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ MYC P01106 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 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
Trifluoromethanesulfonic Acid SCHEMBL28138276 0.90 MYC (0.31) MYCPTPN2PTPN1
SCHEMBL28331891 0.86 PTPN2 (0.38) LMNAPTPN2PTPN1
SCHEMBL28138290 0.80 PTPN2 (0.34) PTPN2PTPN1
SCHEMBL28138284 0.80 PTPN2 (0.34) PTPN2PTPN1
SCHEMBL28138830 0.78 KDM4E (0.30) —
SCHEMBL9362569 0.76 KDM4E (0.44) LMNAMYCPTPN2PTPN1
SCHEMBL28138889 0.75 BRD4 (0.38) LMNA
SCHEMBL26416381 0.67 PTPN2 (0.42) LMNAPTPN2PTPN1
SCHEMBL28285820 0.66 BCHE (0.36) LMNA
SCHEMBL5398797 0.65 MEN1 (0.44) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573896-B Fluoroalkylating agents KUMIAI CHEMICAL INDUSTRY CO.,LTD. (JP) 2019-11-01 — — CN disclosed
CN-106573896-A Fluoroalkylating agents 庵原化学工业株式会社 2017-04-19 — — CN disclosed
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