SCHEMBL8395488

SCHEMBL8395488

COc1cccc(N(Cc2nc3c(F)c(F)ccc3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
AKR1B1 P15121 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
F2 P00734 1/20 0.35
AKR1A1 P14550 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL8399605 0.92 LTB4R2 (0.39) AKR1B1MAPTKMT2ALMNAALDH1A1
SCHEMBL8396213 0.90 SMN1; SMN2 (0.39) MTNR1AMTNR1BMAPTLMNAHSD17B1
SCHEMBL8399186 0.89 USP2 (0.40) AKR1B1MAPTLMNAALDH1A1POLB
SCHEMBL8400418 0.88 RAB9A (0.40) AKR1B1KMT2AALDH1A1HTTPAX8
SCHEMBL8399142 0.88 AKR1B1 (0.41) AKR1B1KMT2ALMNALTB4R2
SCHEMBL8398063 0.87 AKR1A1 (0.48) AKR1B1AKR1A1
SCHEMBL8518906 0.87 AKR1B1 (0.40) AKR1B1LTB4R2
SCHEMBL8400340 0.86 AKR1B1 (0.46) AKR1B1MAPTLMNAHTTPOLB
SCHEMBL8398941 0.86 AKR1B1 (0.39) AKR1B1MAPTLMNAPOLBPTGDR2
SCHEMBL8399115 0.86 MTNR1A (0.40) MTNR1AMTNR1BKMT2ALMNAHSD17B1

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