SCHEMBL8399303

SCHEMBL8399303

O=C(O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.43
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
FDFT1 P37268 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL8396244 0.91 AKR1B1 (0.45) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8398174 0.88 AKR1B1 (0.43) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8400221 0.88 AKR1B1 (0.43) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8397992 0.88 SMN1; SMN2 (0.39) AKR1B1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8398067 0.86 AKR1B1 (0.46) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8400252 0.85 AKR1B1 (0.41) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8399278 0.85 AKR1B1 (0.41) AKR1B1MEN1KMT2AHDAC6MAPT
SCHEMBL8397050 0.84 AKR1B1 (0.43) AKR1B1LMNASMN1; SMN2ALOX15HTT
SCHEMBL8400258 0.84 AKR1B1 (0.40) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8397855 0.82 AKR1B1 (0.40) AKR1B1MEN1KMT2AHDAC6LMNA

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