SCHEMBL8668402

SCHEMBL8668402

COC(=O)c1ccc(C2=NC(c3ccccc3SC)(C3(c4ccccc4SC)N=C(c4ccc(C(=O)OC)cc4)C(c4ccc(C(=O)OC)cc4)=N3)N=C2c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 2/20 0.41
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPK1 P28482 1/20 0.40
EGFR P00533 1/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL8665762 0.86 PDK2 (0.44) RAB9ASMN1; SMN2GAATSHRALDH1A1
SCHEMBL2493563 0.83 TSHR (0.45) RAB9ASMN1; SMN2GAAL3MBTL1TSHR
SCHEMBL8663910 0.82 TSHR (0.44) RAB9ASMN1; SMN2L3MBTL1TSHRPTPN1
SCHEMBL8078179 0.82 TSHR (0.44) RAB9ASMN1; SMN2L3MBTL1TSHRPTPN1
SCHEMBL2492082 0.81 TSHR (0.42) RAB9ASMN1; SMN2L3MBTL1TSHRPTPN1
SCHEMBL2497787 0.81 EGFR (0.52) RAB9ASMN1; SMN2L3MBTL1TSHRPTPN1
SCHEMBL8665416 0.80 NPC1 (0.44) RAB9ASMN1; SMN2GAAL3MBTL1TSHR
SCHEMBL8665293 0.79 ALDH1A1 (0.39) RAB9ASMN1; SMN2L3MBTL1TSHRALDH1A1
SCHEMBL8664266 0.79 MAPT (0.41) RAB9ASMN1; SMN2L3MBTL1TSHRPTPN1
SCHEMBL8666374 0.78 MAPT (0.46) SMN1; SMN2GAATSHRALDH1A1HPGD

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-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed