SCHEMBL1005846

SCHEMBL1005846

O=C(O)n1ccc2ccsc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DAO P14920 1/20 0.34
NOTUM Q6P988 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NR4A1 P22736 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AXL P30530 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL23937764 0.70
SCHEMBL7674401 0.68 DAO (0.33) TSHRRAB9AL3MBTL1DAONOTUM
SCHEMBL31519217 0.68 POLB (0.38) KDM1ARCOR1TSHRRAB9AL3MBTL1
SCHEMBL17933520 0.66
SCHEMBL5981198 0.65 KDM1A (0.34) KDM1ARCOR1DAO
SCHEMBL10679054 0.64 LMNA (0.38) TSHRMAPT
SCHEMBL931955 0.63 TSHR (0.69) TSHRRAB9AL3MBTL1DAONOTUM
SCHEMBL29453277 0.63 TSHR (0.69) TSHRRAB9AL3MBTL1DAONOTUM
Methane SCHEMBL1173679 0.61 TSHR (0.67) TSHRRAB9AL3MBTL1DAONOTUM
Hydrochloric Acid SCHEMBL20610213 0.61 TSHR (0.67) TSHRRAB9AL3MBTL1DAONOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268281-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS Abbott Laboratories (US) 2011-01-05 EP disclosed
WO-2009102462-A1 THIENOPYRROLES AND PYRROLOTHIAZOLES AS NEW THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2009-08-20 WO disclosed