SCHEMBL9832503

SCHEMBL9832503

CN(C)CC(=O)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
LMNA P02545 2/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
GSK3B P49841 1/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CTNNB1 P35222 3/20 0.50
WNT3A P56704 3/20 0.50
DAO P14920 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL15974682 0.84 ERCC5 (0.57) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL471019 0.81 ALDH1A1 (0.69) ALDH1A1NPC1RAB9ALMNAPOLB
Hydrochloric Acid SCHEMBL3303 0.80 ALDH1A1 (0.67) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL31419978 0.79 TSHR (0.59) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL13044823 0.78 LMNA (0.69) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL11316585 0.78 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL1923026 0.78 ERCC5 (0.59) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL1232758 0.78
SCHEMBL14139292 0.78 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ALMNAPOLB
SCHEMBL287873 0.78 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1021051-C THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING SAME TANABE SEIYAKU CO (JP) 1993-06-02 CN disclosed
EP-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 EP disclosed
US-4857543-A TREATMENT OF GASTROINTESTINAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1989-08-15 US disclosed
CN-1030584-A Novel thiophene derivant and preparation method thereof TANABE SEIYAKU CO (JP) 1989-01-25 CN disclosed
EP-0297782-A1 A thiophene derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-01-04 EP disclosed