SCHEMBL9835360

SCHEMBL9835360

O=C(O)C1CCc2cc(Cc3cccnc3)sc2C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.56
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36

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
Hydrochloric Acid SCHEMBL9837497 0.99 TBXAS1 (0.55) TBXAS1ALDH1A1TSHRHDAC8NAPRT
SCHEMBL9834661 0.91 TBXAS1 (0.56) TBXAS1ALDH1A1TSHRNAPRTMAPT
SCHEMBL9834561 0.90 TBXAS1 (0.59) TBXAS1ALDH1A1TSHRHDAC8NAPRT
Hydrochloric Acid SCHEMBL10547870 0.89 TBXAS1 (0.58) TBXAS1ALDH1A1TSHRHDAC8NAPRT
SCHEMBL9834435 0.88 TBXAS1 (0.44) TBXAS1ALDH1A1TSHRHDAC8MAPT
SCHEMBL9836796 0.84 TBXAS1 (0.43) TBXAS1ALDH1A1TSHRHDAC8NAPRT
SCHEMBL9836497 0.80 TBXAS1 (0.44) TBXAS1ALDH1A1MAPTHTTLMNA
SCHEMBL9836574 0.78 TBXAS1 (0.43) TBXAS1ALDH1A1TSHRHDAC8NAPRT
SCHEMBL9837509 0.76 ALDH1A1 (0.42) TBXAS1ALDH1A1NAPRTMAPTLMNA
Hydrochloric Acid SCHEMBL10554841 0.75 ALDH1A1 (0.41) TBXAS1ALDH1A1MAPTLMNA

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