SCHEMBL900781

SCHEMBL900781

[CH2]Cc1cc(F)cc(SC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.36
PTPN1 P18031 2/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNK2 O95069 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
SCHEMBL900562 0.82 PTPRZ1 (0.33) PTPRZ1PTPN1
SCHEMBL20411965 0.79 KDM4E (0.42) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL12474309 0.78 PTPRZ1 (0.34) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL900700 0.74 KDM4E (0.35) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL148109 0.73 IDO1 (0.46)
SCHEMBL5422754 0.73 PTPRZ1 (0.41) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL5404852 0.71 PTPRZ1 (0.61) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL25326158 0.69 KDM4E (0.35) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL153038 0.69 IDO1 (0.41) KDM4EALDH1A1
SCHEMBL900702 0.69 TP53 (0.36) PTPRZ1PTPN1KDM4EALDH1A1TDP1

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