SCHEMBL7253305

SCHEMBL7253305

Cc1nc(COc2cc[c]cc2)sc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.36
SLC6A3 Q01959 1/20 0.35
ADAM17 P78536 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
PPARD Q03181 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AOC3 Q16853 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL6804342 0.75 ADAM17 (0.37) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL7263114 0.74 LMNA (0.36) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL7253031 0.74 FFAR1 (0.40) KMT2ASLC6A3MEN1PPARD
SCHEMBL1711724 0.72 NPC1 (0.77) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL19002526 0.69 POLB (0.42) SMN1; SMN2SLC6A3MAPTPOLB
SCHEMBL4721186 0.69 L3MBTL1 (0.48) RAB9ASMN1; SMN2L3MBTL1KMT2ASLC6A3
SCHEMBL5757765 0.68 ACACB (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL7253353 0.68 MEN1 (0.39) RAB9ASMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL3098479 0.68 NPC1 (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL21151 0.66

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
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed