SCHEMBL8239663

SCHEMBL8239663

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
CDC7 O00311 2/20 0.36
DBF4 Q9UBU7 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8238621 0.90 MAPT (0.39) TSHRTP53MAPTTRPM8
SCHEMBL8241890 0.89 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8239035 0.89 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8239212 0.89 NPC1 (0.38) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8232615 0.88 MAPT (0.41) SMN1; SMN2TP53MAPTALDH1A1KDM4E
SCHEMBL8239696 0.88 RAB9A (0.39) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8238628 0.84 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL8238616 0.78 CDK5 (0.40) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8239038 0.78 CCNA2 (0.41) RAB9ANPC1SMN1; SMN2TSHRTP53
SCHEMBL8238624 0.77 HPGD (0.36) 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