SCHEMBL28331891

SCHEMBL28331891

CN1c2ccccc2N(C)C1C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PDGFRB P09619 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL28138284 0.93 PTPN2 (0.34) PTPN2PTPN1PDGFRB
SCHEMBL28138290 0.93 PTPN2 (0.34) PTPN2PTPN1PDGFRB
Trifluoromethanesulfonic Acid SCHEMBL28138276 0.87 MYC (0.31) PTPN2PTPN1
SCHEMBL28138292 0.86 LMNA (0.32) PTPN2PTPN1LMNA
SCHEMBL26416381 0.79 PTPN2 (0.42) PTPN2PTPN1PDGFRBLMNAGPR3
SCHEMBL23917940 0.72 PTPN2 (0.44) PTPN2PTPN1PDGFRBLMNAGPR3
SCHEMBL28138831 0.68 PTPN2 (0.35) PTPN2PTPN1PDGFRBLMNAGPR3
SCHEMBL21250753 0.67 PDGFRB (0.46) PTPN2PTPN1PDGFRBLMNAGPR3
SCHEMBL19425817 0.66 PDGFRB (0.42) PTPN2PTPN1PDGFRBLMNAGPR3
SCHEMBL28138899 0.65 BRD4 (0.40) LMNAHTTALDH1A1ALOX12

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
Send feedback