SCHEMBL9836574

SCHEMBL9836574

O=C(O)OC1CCc2sc(Cc3cccnc3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.43
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX12 P18054 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL9836796 0.92 TBXAS1 (0.43) TBXAS1MAPTALDH1A1NAPRTTSHR
SCHEMBL9834661 0.84 TBXAS1 (0.56) TBXAS1MAPTALDH1A1ALOX12NAPRT
SCHEMBL9836514 0.82 TBXAS1 (0.42) TBXAS1NAPRTHDAC8
SCHEMBL9836497 0.81 TBXAS1 (0.44) TBXAS1MAPTALDH1A1ALOX12RAB9A
SCHEMBL9835360 0.78 TBXAS1 (0.56) TBXAS1MAPTALDH1A1NAPRTTSHR
Hydrochloric Acid SCHEMBL9837497 0.77 TBXAS1 (0.55) TBXAS1ALDH1A1NAPRTTSHRHDAC8
SCHEMBL9836173 0.76 ALDH1A1 (0.42) TBXAS1MAPTALDH1A1NAPRTRAB9A
SCHEMBL9834435 0.75 TBXAS1 (0.44) TBXAS1MAPTALDH1A1KMT2ATSHR
SCHEMBL9835990 0.74 TBXAS1 (0.72) TBXAS1ALDH1A1CYP11B1CYP11B2
SCHEMBL9836492 0.70 TBXAS1 (0.42) TBXAS1NAPRTKMT2ACYP11B1CYP11B2

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