SCHEMBL2650087

SCHEMBL2650087

O=C(Nc1nc(CSc2ccccc2)c(Cl)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1.O=C(Nc1nc(CSc2ccccc2)c(Cl)s1)Nc1ccccc1C(=O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 2/20 0.35
GRIK1 P39086 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL1341158 0.98 MAPT (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1340598 0.94 KMT2A (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1341439 0.90 RAB9A (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1342772 0.90 MAPT (0.38) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1342721 0.90 MAPT (0.38) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1339994 0.89 MAPT (0.37) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1340162 0.88 MAPT (0.36) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1343364 0.88 MAPT (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1342635 0.88 MAPT (0.37) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1340889 0.88 CSNK1D (0.37) MAPTMEN1KMT2ALMNASMN1; SMN2

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed