SCHEMBL7169154

SCHEMBL7169154

CCOC(=O)CCN(C(=O)Oc1ccc2sc(CSc3ccc(C#N)cc3)nc2c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CASP1 P29466 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL7168150 0.89 POLB (0.39) SMN1; SMN2NPC1RAB9AL3MBTL1NFKB1
SCHEMBL7161779 0.89 L3MBTL1 (0.40) SMN1; SMN2NPC1RAB9AL3MBTL1NFKB1
SCHEMBL6775922 0.89 KMT2A (0.38) SMN1; SMN2NPC1RAB9AL3MBTL1NFKB1
SCHEMBL7163316 0.88 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1NFKB1
Hydrochloric Acid SCHEMBL7164407 0.87 TMPRSS15 (0.41) SMN1; SMN2NPC1RAB9AL3MBTL1NFKB1
SCHEMBL7164317 0.83 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AL3MBTL1NFKB1
SCHEMBL7159095 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AL3MBTL1NFKB1
SCHEMBL7159194 0.81 POLB (0.43) SMN1; SMN2NPC1RAB9AL3MBTL1NFKB1
SCHEMBL7167893 0.77 ALDH1A1 (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1PKM
Hydrochloric Acid SCHEMBL7163083 0.77 TMPRSS15 (0.43) ALOX5EPHX2

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
EP-0966454-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-07 EP disclosed