SCHEMBL8399315

SCHEMBL8399315

COC(=O)CCC(=O)N(CC#N)c1cccc(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
GHSR Q92847 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
POLQ O75417 1/20 0.34
FDFT1 P37268 1/20 0.34

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
SCHEMBL8399264 0.90 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL8399283 0.89 SMN1; SMN2 (0.38) SMN1; SMN2RAB9ATP53MTNR1AMTNR1B
SCHEMBL8397982 0.87 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ATP53MEN1KMT2A
SCHEMBL8399007 0.85 SMN1; SMN2 (0.37) SMN1; SMN2TSHRNPSR1KMT2AMAPT
SCHEMBL8400306 0.84 KMT2A (0.43) SMN1; SMN2RAB9ATP53MEN1KMT2A
SCHEMBL8398029 0.83 LTB4R2 (0.42) SMN1; SMN2MEN1KMT2ANPC1POLQ
SCHEMBL8399042 0.83 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ATSHRMTNR1AMTNR1B
SCHEMBL8399140 0.83 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ATSHRNPSR1MEN1
SCHEMBL8400465 0.83 MTNR1A (0.52) RAB9ATP53MTNR1AMTNR1BKMT2A
SCHEMBL8400558 0.82 SMN1; SMN2 (0.54) SMN1; SMN2TP53TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed