SCHEMBL900562

SCHEMBL900562

[CH2]CCCc1cc(F)cc(SC(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 2/20 0.33
PTPN1 P18031 1/20 0.33
HTR2A P28223 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
SCHEMBL900781 0.82 PTPRZ1 (0.36) PTPRZ1PTPN1
SCHEMBL5976699 0.78 IDO1 (0.39)
SCHEMBL17288972 0.77 FFAR4 (0.40) PTPRZ1PTPN1
SCHEMBL5544527 0.75 PTPRZ1 (0.53) PTPRZ1PTPN1
SCHEMBL16957448 0.74 TACR1 (0.39)
SCHEMBL20411965 0.73 KDM4E (0.42) PTPRZ1PTPN1
SCHEMBL12474309 0.72 PTPRZ1 (0.34) PTPRZ1PTPN1
SCHEMBL5975748 0.72 IDO1 (0.38)
SCHEMBL5538192 0.70 PTPRZ1 (0.52) PTPRZ1PTPN1
SCHEMBL27959417 0.70 IDO1 (0.37)

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
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed