SCHEMBL8397937

SCHEMBL8397937

CSc1ccc(N(Cc2nc3c(Cl)c(Cl)ccc3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL8396272 0.89 AKR1B1 (0.40) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8395474 0.89 AKR1B1 (0.41) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8395924 0.89 AKR1B1 (0.36) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8398087 0.89 SMN1; SMN2 (0.39) AKR1B1KMT2AMEN1NPC1POLB
SCHEMBL8396288 0.89 AKR1B1 (0.38) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8398067 0.88 AKR1B1 (0.46) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8397836 0.87 AKR1B1 (0.39) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8400258 0.87 AKR1B1 (0.40) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8399270 0.87 AKR1B1 (0.40) AKR1B1KMT2AMEN1HDAC6NPC1
SCHEMBL8397105 0.86 AKR1B1 (0.38) AKR1B1KMT2AMEN1HDAC6NPC1

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