SCHEMBL3468581

SCHEMBL3468581

O=C(COc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.65
MAPT P10636 5/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 3/20 0.64
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
PTPRE P23469 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GLS O94925 1/20 0.58
POLB P06746 2/20 0.57
SIRT2 Q8IXJ6 1/20 0.56
THRB P10828 1/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL21450201 0.87 MAPT (0.73) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL3467104 0.83 L3MBTL1 (0.65) ALDH1A1SMN1; SMN2L3MBTL1GLSPOLB
SCHEMBL3467988 0.82 SMN1; SMN2 (0.69) TP53MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3466732 0.81 NPC1 (0.72) MAPTALDH1A1LMNAHPGDHSD17B10
SCHEMBL29047587 0.79 L3MBTL1 (0.60) TP53ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL12793509 0.78 MEN1 (0.76) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL12838825 0.75 ALDH1A1 (0.72) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL21450180 0.74 MAPT (0.68) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL21436991 0.74 NPSR1 (0.77) MAPTALDH1A1LMNAHPGDL3MBTL1
SCHEMBL20887240 0.74 KDM4E (0.79) MAPTALDH1A1LMNAHSD17B10SMN1; 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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed