SCHEMBL4739602

SCHEMBL4739602

CCOC(=O)c1csc(N(C)c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 6/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 3/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 2/20 0.48
MMP1 P03956 1/20 0.47
MMP13 P45452 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.46
CHEK1 O14757 1/20 0.46

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
SCHEMBL10464761 0.89 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL16399420 0.87 EGFR (0.53) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL18002733 0.83 MAPT (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7446319 0.82 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4733657 0.82 CHEK1 (0.52) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1536494 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4762048 0.81 CHEK1 (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL231509 0.80 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL11590078 0.80 MEN1 (0.70) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4735985 0.79 CHEK1 (0.53) RAB9ANPC1SMN1; SMN2MAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed