SCHEMBL6906772

SCHEMBL6906772

[c]1nccnc1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
CYP2C9 P11712 1/20 0.41
PLA2G7 Q13093 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL17626796 0.74 POLB (0.44) HSD17B10RAB9ANPC1SMN1; SMN2HTT
SCHEMBL9479768 0.73 HSD17B10 (0.48) HSD17B10RAB9ANPC1SMN1; SMN2HTT
SCHEMBL11201496 0.71
SCHEMBL1029180 0.69 HSD17B10 (1.00) HSD17B10RAB9ANPC1SMN1; SMN2HTT
SCHEMBL7765645 0.68 TAAR1 (0.44) HSD17B10RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL400161 0.66 POLB (0.70) HSD17B10RAB9ANPC1SMN1; SMN2HTT
SCHEMBL2123171 0.66 HSD17B10 (0.53) HSD17B10RAB9ANPC1SMN1; SMN2HTT
SCHEMBL229404 0.66 HDAC1 (0.53) HSD17B10RAB9ANPC1ALDH1A1ABL1
SCHEMBL7589855 0.65 LMNA (0.53) HSD17B10HTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5155818 0.64 HDAC1 (0.52) HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040022880-A1 Extracts of mixed arctium lappa L., carrot and whole radish for treating hypertension, constipation and detoxification SHI YUAN (US) 2004-02-05 US disclosed
US-6428822-B1 HOLISTIC TREATMENT TO HEAL ENTIRE BODY; DIETARY SUPPLEMENT TO BOOST IMMUNE SYSTEM; SIDE EFFECT REDUCTION CHENGZHI LIFE SCIENCE COMPANY, LTD. (CN) 2002-08-06 US disclosed
US-4559340-A DIURETICS; GLAUCOMA SCHERING CORPORATION (US) 1985-12-17 US disclosed
US-4559340-A DIURETICS; GLAUCOMA SCHERING CORPORATION (US) 1985-12-17 US disclosed