SCHEMBL9837543

SCHEMBL9837543

COC(=O)C1=Cc2sc(C(O)c3cccnc3)cc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CYP11B1 P15538 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 1/20 0.34
CISD2 Q8N5K1 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL9837224 0.87 TBXAS1 (0.43) TSHRCYP11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL9835661 0.83 TBXAS1 (0.46) TSHRCYP11B1ALDH1A1LMNAKDM4E
SCHEMBL9836059 0.75 TBXAS1 (0.58) CYP11B1ALDH1A1MEN1USP2KMT2A
SCHEMBL9836236 0.70 TBXAS1 (0.59) TSHRCYP11B1ALDH1A1LMNAKDM4E
SCHEMBL9835663 0.67 TBXAS1 (0.43) TSHRALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL8055980 0.67 ALDH1A1 (0.59) TSHRCYP11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL28572910 0.66 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EL3MBTL1GAA
SCHEMBL9836618 0.66 ALDH1A1 (0.45) TSHRALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL9835838 0.66 KDM4E (0.35) ALDH1A1LMNAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL7246231 0.65 TSHR (0.67) TSHRCYP11B1LMNAKDM4ESMN1; SMN2

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
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed