SCHEMBL8400252

SCHEMBL8400252

CSc1ccccc1N(Cc1nc2c(Cl)c(Cl)ccc2s1)C(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.41
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 3/20 0.31
FDFT1 P37268 1/20 0.31
MAPT P10636 5/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ATM Q13315 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL8395386 0.89 SMN1; SMN2 (0.38) AKR1B1MEN1KMT2ALMNAMAPT
SCHEMBL8396244 0.88 AKR1B1 (0.45) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8400221 0.87 AKR1B1 (0.43) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8398174 0.85 AKR1B1 (0.43) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8399303 0.85 AKR1B1 (0.43) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8397717 0.85 AKR1B1 (0.41) AKR1B1LMNAMAPTTP53SMN1; SMN2
SCHEMBL8399278 0.85 AKR1B1 (0.41) AKR1B1MEN1KMT2AHDAC6MAPT
SCHEMBL8398067 0.84 AKR1B1 (0.46) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8397937 0.83 AKR1B1 (0.38) AKR1B1MEN1KMT2AHDAC6LMNA
SCHEMBL8396288 0.81 AKR1B1 (0.38) 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