SCHEMBL9835790

SCHEMBL9835790

COC(=O)C1CCc2cc(CCn3ccnc3)sc2C1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.79
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9834133 0.90 TBXAS1 (0.78) TBXAS1ALDH1A1GAAPDE4BPDE4D
SCHEMBL9837013 0.89 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9837253 0.88 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9837494 0.82 TBXAS1 (0.73) TBXAS1ALDH1A1GAAKDM4E
SCHEMBL9871295 0.82 TBXAS1 (0.55) TBXAS1ALDH1A1GAAPDE4BPDE4D
SCHEMBL9836336 0.81 TBXAS1 (0.78) TBXAS1ALDH1A1GAAPDE4BPDE4D
SCHEMBL9837142 0.78 TBXAS1 (1.00) TBXAS1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9836713 0.77 TBXAS1 (0.98) TBXAS1ALDH1A1GAA
SCHEMBL9837500 0.76 TBXAS1 (0.80) TBXAS1ALDH1A1GAAKDM4EMAPK1
SCHEMBL9834707 0.73 TBXAS1 (0.48) TBXAS1ALDH1A1GAA

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