SCHEMBL900986

SCHEMBL900986

C[CH]Cc1ccc(F)c(SC(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
PTPRZ1 P23471 2/20 0.33
PTPN1 P18031 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32

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
SCHEMBL12474301 0.87 PDE2A (0.41) PDE2APTPRZ1PTPN1HTR2AHTR2C
SCHEMBL901022 0.77 PTPRZ1 (0.35) PDE2APTPRZ1PTPN1HTR2AHTR2C
SCHEMBL8123450 0.74 HTT (0.41)
SCHEMBL900902 0.72 PTPN1 (0.32) PTPRZ1PTPN1HTR2AHTR2CHTR2B
SCHEMBL7687745 0.71 SLC6A2 (0.41) HTR2AHTR2CHTR2B
SCHEMBL900119 0.71 ALOX15 (0.38) PDE2AHTR2AHTR2CHTR2B
SCHEMBL900763 0.70 HTR2A (0.35) PDE2AHTR2AHTR2CHTR2B
SCHEMBL900723 0.70 ALDH1A1 (0.31) PDE2A
SCHEMBL901097 0.70 IDO1 (0.33) PDE2AHTR2AHTR2CHTR2B
SCHEMBL12474343 0.70 KDM4E (0.36) PTPRZ1PTPN1

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