SCHEMBL8399115

SCHEMBL8399115

COc1cccc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
KMT2A Q03164 1/20 0.38
F2 P00734 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
MMP13 P45452 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL8395207 0.92 LTB4R2 (0.39) KMT2ANPC1RAB9ALMNAPOLB
SCHEMBL8399206 0.90 SMN1; SMN2 (0.40) MTNR1AMTNR1BHSD17B1HSD17B2NPC1
SCHEMBL8399251 0.90 TSHR (0.40) NPC1RAB9ALMNAPOLBPTGDR2
SCHEMBL8398137 0.89 RAB9A (0.40) KMT2AF2NPC1RAB9ALMNA
SCHEMBL8399085 0.89 LTB4R2 (0.40) KMT2ANPC1LMNAPTGDR2LTB4R2
SCHEMBL8398176 0.88 AKR1B1 (0.40) MTNR1AMTNR1BKMT2AF2PTGDR2
SCHEMBL8399483 0.88 HDAC6 (0.39) NPC1RAB9ALMNALTB4R2NOS2
SCHEMBL8395274 0.87 AKR1B1 (0.37) NPC1RAB9APOLB
SCHEMBL8396071 0.87 LTB4R2 (0.36) RAB9ALMNAPTGDR2LTB4R2
SCHEMBL8396627 0.87 RXRA (0.34) KMT2ALMNALTB4R2

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