SCHEMBL2651116

SCHEMBL2651116

O=C(Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccc(Cl)cc1C(=O)C1CCCC1.O=C(Nc1nc(CSc2ccccc2)c(S(=O)(=O)c2nnn[nH]2)s1)Nc1ccc(F)cc1C(=O)C1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
GRM4 Q14833 2/20 0.31
CCR3 P51677 1/20 0.31
TP53 P04637 1/20 0.30
MRGPRX1 Q96LB2 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
SCHEMBL1340119 0.96 RAB9A (0.33) RAB9ALMNAMEN1MAPTHTT
SCHEMBL1343094 0.96 MAPT (0.34) RAB9ALMNAMEN1MAPTHTT
SCHEMBL2651114 0.89
SCHEMBL1342466 0.89 ALDH1A1 (0.33) RAB9ALMNAMEN1MAPTHTT
SCHEMBL1341304 0.88 MAPT (0.33) RAB9ALMNAMEN1MAPTHTT
SCHEMBL1343081 0.88 NTRK1 (0.33) RAB9ALMNAMEN1MAPTHTT
SCHEMBL1341031 0.86 MAPT (0.36) RAB9ALMNAMEN1MAPTHTT
SCHEMBL1341958 0.86 MAPT (0.35) RAB9ALMNAMEN1MAPTHTT
SCHEMBL1342169 0.85 CCNE1 (0.31) MEN1MAPTKMT2ATP53
SCHEMBL1343173 0.85 LMNA (0.35) RAB9ALMNAMEN1MAPTKMT2A

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