SCHEMBL8906304

SCHEMBL8906304

COc1ccc(CC2S[C@@H]3C(=Cc4cn5c(n4)SCC5)C(=O)N3C2C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TNKS O95271 3/20 0.31
TNKS2 Q9H2K2 3/20 0.31
POLB P06746 3/20 0.31
PARP2 Q9UGN5 2/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL8152077 0.95 TSHR (0.34) TSHRMAPTSMN1; SMN2HSD17B10TP53
SCHEMBL8906296 0.77 ALDH1A1 (0.35) TSHRMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8887806 0.76 TSHR (0.36) TSHRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8887804 0.74
SCHEMBL8886897 0.71 TSHR (0.34) TSHRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8845990 0.65 ALDH1A1 (0.38) POLBALDH1A1HPGD
SCHEMBL6810388 0.64
SCHEMBL6810382 0.64
SCHEMBL6810383 0.62
SCHEMBL13424044 0.61 MAPT (0.33) MAPTMEN1KMT2ASMN1; SMN2MAPK1

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-5602250-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-11 US disclosed