SCHEMBL8400258

SCHEMBL8400258

O=C(O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL8395474 0.92 AKR1B1 (0.41) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8398067 0.90 AKR1B1 (0.46) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8399270 0.90 AKR1B1 (0.40) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8396272 0.90 AKR1B1 (0.40) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8397855 0.88 AKR1B1 (0.40) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8397836 0.88 AKR1B1 (0.39) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8396376 0.87 SMN1; SMN2 (0.40) AKR1B1MEN1KMT2ALMNANPC1
SCHEMBL8397105 0.87 AKR1B1 (0.38) AKR1B1MEN1KMT2AHDAC6NPC1
SCHEMBL8397937 0.87 AKR1B1 (0.38) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8396279 0.87 USP2 (0.40) AKR1B1LMNAPOLBGAAMAPT

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