SCHEMBL7958101

SCHEMBL7958101

CCOC(=O)c1csc(-c2ccc(C(Cl)c3cccc(O[Si](C)(C)C(C)(C)C)c3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
CLK1 P49759 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 6/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL7957969 0.90 RAB9A (0.48) RAB9ANPC1CLK1GAAL3MBTL1
SCHEMBL7973705 0.86 MAPK1 (0.43) RAB9ANPC1GAAL3MBTL1MAPT
SCHEMBL7973745 0.80 OPRD1 (0.45)
SCHEMBL7967292 0.77 MAPK1 (0.41) RAB9ANPC1GAAMAPTNPSR1
SCHEMBL29911269 0.73 RAB9A (0.66) RAB9ANPC1CLK1GAAL3MBTL1
SCHEMBL4576731 0.71 OPRD1 (0.46)
SCHEMBL1660221 0.71 RAB9A (0.66) RAB9ANPC1CLK1GAAMAPT
SCHEMBL7477920 0.71 MMP8 (0.42) L3MBTL1MAPTALDH1A1HSP90AA1TDP1
SCHEMBL4576162 0.71 CA12 (0.36) HSP90AA1
SCHEMBL998829 0.71 RAB9A (0.69) RAB9ANPC1CLK1GAAMAPT

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-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed