SCHEMBL8399270

SCHEMBL8399270

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
MDM2 Q00987 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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) AKR1B1MEN1KMT2AHDAC6LTB4R2
SCHEMBL8398067 0.90 AKR1B1 (0.46) AKR1B1MEN1KMT2AHDAC6MAPT
SCHEMBL8400258 0.90 AKR1B1 (0.40) AKR1B1MEN1KMT2AHDAC6MAPT
SCHEMBL8396272 0.90 AKR1B1 (0.40) AKR1B1MEN1KMT2AHDAC6LTB4R2
SCHEMBL8396282 0.88 AKR1B1 (0.40) AKR1B1MEN1KMT2AHDAC6LTB4R2
SCHEMBL8397836 0.88 AKR1B1 (0.39) AKR1B1MEN1KMT2AHDAC6MAPT
SCHEMBL8397981 0.87 SMN1; SMN2 (0.40) AKR1B1MEN1KMT2AMAOAMAOB
SCHEMBL8396279 0.87 USP2 (0.40) AKR1B1LTB4R2MAPTLMNAPOLB
SCHEMBL8397105 0.87 AKR1B1 (0.38) AKR1B1MEN1KMT2AHDAC6LTB4R2
SCHEMBL8397937 0.87 AKR1B1 (0.38) AKR1B1MEN1KMT2AHDAC6MAPT

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