SCHEMBL900840

SCHEMBL900840

C[CH]Cc1cc(C)cc(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1610999 0.80 RAPGEF4 (0.31) RAPGEF4KMT2A
SCHEMBL12802117 0.80 GAA (0.44) RAPGEF4KMT2AKDM4EL3MBTL1
SCHEMBL1610361 0.77 TAAR1 (0.31)
SCHEMBL900740 0.73 HRH3 (0.38) RAPGEF4KMT2AKDM4E
SCHEMBL598637 0.73 KMT2A (0.41) RAPGEF4KMT2AKDM4EL3MBTL1
SCHEMBL395487 0.71 TAAR1 (0.40) RAPGEF4KDM4EL3MBTL1
SCHEMBL1610418 0.71 RAPGEF4 (0.35) RAPGEF4KDM4EL3MBTL1
SCHEMBL3824444 0.71 KDM4E (0.43) RAPGEF4KMT2AKDM4EL3MBTL1
SCHEMBL395976 0.71 KDM4E (0.35) RAPGEF4KMT2AKDM4EL3MBTL1
SCHEMBL30425753 0.71 SHBG (0.39) RAPGEF4KDM4EL3MBTL1

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