SCHEMBL9836796

SCHEMBL9836796

O=C(O)OC1CCc2cc(Cc3cccnc3)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.43
HDAC8 Q9BY41 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
SLC8A1 P32418 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL9836574 0.92 TBXAS1 (0.43) TBXAS1HDAC8NAPRTTSHRCYP1A2
SCHEMBL9836514 0.91 TBXAS1 (0.42) TBXAS1HDAC8NAPRTSLC8A1
SCHEMBL9835360 0.84 TBXAS1 (0.56) TBXAS1HDAC8NAPRTTSHRMAPT
Hydrochloric Acid SCHEMBL9837497 0.83 TBXAS1 (0.55) TBXAS1HDAC8NAPRTTSHRALDH1A1
SCHEMBL9834435 0.81 TBXAS1 (0.44) TBXAS1HDAC8TSHRMAPTALDH1A1
SCHEMBL9836173 0.78 ALDH1A1 (0.42) TBXAS1NAPRTMAPTALDH1A1LMNA
SCHEMBL9834661 0.78 TBXAS1 (0.56) TBXAS1NAPRTTSHRMAPTALDH1A1
SCHEMBL9836497 0.75 TBXAS1 (0.44) TBXAS1MAPTALDH1A1LMNATP53
SCHEMBL9834561 0.74 TBXAS1 (0.59) TBXAS1HDAC8NAPRTTSHRALDH1A1
Hydrochloric Acid SCHEMBL10547870 0.74 TBXAS1 (0.58) TBXAS1HDAC8NAPRTTSHRALDH1A1

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
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP claimed