SCHEMBL8396242

SCHEMBL8396242

CCOC(=O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
AKR1B1 P15121 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
PARP1 P09874 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TOP2A P11388 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
SCHEMBL8398032 0.92 SMN1; SMN2 (0.44) SMN1; SMN2AKR1B1NPC1RAB9ATP53
SCHEMBL8400414 0.92 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1NPC1RAB9ATP53
SCHEMBL8398045 0.92 SMN1; SMN2 (0.42) SMN1; SMN2AKR1B1NPC1RAB9ATP53
SCHEMBL8400310 0.91 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1NPC1GAAMAPT
SCHEMBL8396376 0.90 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1L3MBTL1NPC1RAB9A
SCHEMBL8397981 0.90 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1NPC1HPGDKMT2A
SCHEMBL8400255 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1L3MBTL1NPC1RAB9A
SCHEMBL8396653 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1NPC1RAB9ATP53
SCHEMBL8395662 0.90 SMN1; SMN2 (0.39) SMN1; SMN2TP53GAAHPGDKMT2A
SCHEMBL8398955 0.89 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1L3MBTL1NPC1RAB9A

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