SCHEMBL900701

SCHEMBL900701

[CH2]Cc1ccc(SC(F)(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.41
PTPRZ1 P23471 2/20 0.35
PTPN1 P18031 1/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 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
SCHEMBL901022 0.85 PTPRZ1 (0.35) PDE2APTPRZ1PTPN1HTR2AHTR2C
SCHEMBL12474365 0.83 PDE2A (0.38) PDE2APTPRZ1PTPN1HTR2AHTR2C
SCHEMBL12474301 0.77 PDE2A (0.41) PDE2APTPRZ1PTPN1HTR2AHTR2C
SCHEMBL900648 0.75 PDE2A (0.44) PDE2AHTR2AHTR2CHTR2B
SCHEMBL10525468 0.74 PDE2A (0.46) PDE2A
SCHEMBL148416 0.71 KIF11 (0.53)
SCHEMBL900649 0.71 PDE2A (0.47) PDE2AHTR2AHTR2CHTR2B
SCHEMBL9404035 0.71 ALDH1A1 (0.48) PDE2AHTR2AHTR2CHTR2B
SCHEMBL18247943 0.71 PDE2A (0.44) PDE2AHTR2AHTR2CHTR2B
SCHEMBL31256398 0.71 ALDH1A1 (0.48) PDE2AHTR2AHTR2CHTR2B

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