SCHEMBL900902

SCHEMBL900902

[CH2]CCCc1ccc(F)c(SC(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
PTPRZ1 P23471 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
FFAR4 Q5NUL3 3/20 0.30
FFAR1 O14842 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
SCHEMBL12474365 0.87 PDE2A (0.38) PTPN1PTPRZ1HTR2AHTR2CHTR2B
SCHEMBL901022 0.83 PTPRZ1 (0.35) PTPN1PTPRZ1HTR2AHTR2CHTR2B
SCHEMBL16953418 0.75 DAO (0.42)
SCHEMBL5544527 0.74 PTPRZ1 (0.53) PTPN1PTPRZ1
SCHEMBL17288972 0.72 FFAR4 (0.40) PTPN1PTPRZ1HTR2CFFAR4
SCHEMBL900986 0.72 PDE2A (0.33) PTPN1PTPRZ1HTR2AHTR2CHTR2B
SCHEMBL900692 0.71 TAAR1 (0.32)
SCHEMBL900918 0.71 KDM4E (0.35) PTPN1PTPRZ1
SCHEMBL900575 0.71 IDO1 (0.32) HTR2AHTR2CHTR2B
SCHEMBL900287 0.71 HTR2A (0.34) HTR2AHTR2CHTR2B

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