SCHEMBL8239696

SCHEMBL8239696

CCOC(=O)C1C=CC(N(Cc2ccccc2)c2csc(-c3ccccc3)n2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
CDC7 O00311 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
DBF4 Q9UBU7 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
SCHEMBL8241890 0.93 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8239663 0.88 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8239035 0.87 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8238621 0.79 MAPT (0.39) TSHRTP53MAPTMEN1KMT2A
SCHEMBL8232615 0.76 MAPT (0.41) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL8238616 0.76 CDK5 (0.40) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8239212 0.76 NPC1 (0.38) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL9975604 0.73 RARA (0.51) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8238628 0.72 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL8239038 0.69 CCNA2 (0.41) RAB9ANPC1SMN1; SMN2TSHRTP53

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-2007064891-A1 COMPOSITIONS AND METHODS FOR INDUCING NEURONAL DIFFERENTIATION THE SCRIPPS RESEARCH INSTITUTE (US) 2007-06-07 WO disclosed