SCHEMBL900877

SCHEMBL900877

[CH2]Cc1ccc(OC(F)F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.47
MEN1 O00255 13/20 0.47
KMT2A Q03164 13/20 0.47
MAPT P10636 12/20 0.47
LMNA P02545 9/20 0.47
HTT P42858 8/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
TP53 P04637 1/20 0.43
HTR1E P28566 1/20 0.43
S1PR3 Q99500 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5318138 0.83 PDE4A (0.42) MEN1KMT2AMAPTLMNAHTT
SCHEMBL10980030 0.82 SMN1; SMN2 (0.48) CSNK2A1MEN1KMT2AMAPTLMNA
SCHEMBL10274466 0.82 CSNK2A1 (0.51) CSNK2A1MEN1KMT2AMAPTLMNA
SCHEMBL12474322 0.80 CACNA1H (0.39) MEN1KMT2AMAPTLMNAHTT
SCHEMBL18182095 0.79 CSNK2A1 (0.53) CSNK2A1MEN1KMT2AMAPTLMNA
SCHEMBL10983789 0.79 MEN1 (0.51) CSNK2A1MEN1KMT2AMAPTLMNA
SCHEMBL20128503 0.77 CSNK2A1 (0.50) CSNK2A1MEN1KMT2AMAPTLMNA
SCHEMBL900777 0.76 KCNH2 (0.39) MEN1KMT2A
SCHEMBL1373686 0.76 ALDH1A1 (0.56) CSNK2A1MEN1KMT2AMAPTHTT
SCHEMBL98041 0.76 MAPT (0.44) CSNK2A1MEN1KMT2AMAPTLMNA

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