SCHEMBL9832653

SCHEMBL9832653

CCC(N)(C(=O)O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
KIF11 P52732 1/20 0.41
RIPK1 Q13546 1/20 0.39
DAO P14920 1/20 0.38
ESR1 P03372 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 2/20 0.36
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
SCHEMBL5522634 1.00 KMT2A (0.49) KMT2AMEN1CYP1A2KIF11RIPK1
SCHEMBL22445447 1.00 KMT2A (0.49) KMT2AMEN1CYP1A2KIF11RIPK1
SCHEMBL7289002 0.84 KIF11 (0.42) KMT2AMEN1CYP1A2KIF11DAO
SCHEMBL7289007 0.84 KIF11 (0.42) KMT2AMEN1CYP1A2KIF11DAO
SCHEMBL9832437 0.81 CHRM2 (0.40) KMT2AMEN1KIF11RIPK1CHRM2
SCHEMBL27814402 0.79 HPGD (0.41) KMT2AMEN1CYP1A2KIF11DAO
SCHEMBL9561446 0.79 RIPK1 (0.42) KMT2AMEN1KIF11RIPK1DAO
SCHEMBL599752 0.77 DAO (0.43) KMT2AMEN1CYP1A2KIF11DAO
SCHEMBL41617 0.77 DAO (0.43) KMT2AMEN1CYP1A2KIF11DAO
SCHEMBL1421302 0.77 DAO (0.43) KMT2AMEN1CYP1A2KIF11DAO

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