SCHEMBL8399147

SCHEMBL8399147

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
AKR1B1 P15121 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 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
SCHEMBL8398966 0.92 AKR1B1 (0.38) AKR1B1MAPTLMNATP53
SCHEMBL8398046 0.90 SMN1; SMN2 (0.39) MTNR1AMTNR1BMAPTSMN1; SMN2KMT2A
SCHEMBL8400332 0.89 RAB9A (0.43) AKR1B1MAPTKMT2ATP53NPC1
SCHEMBL8396279 0.89 USP2 (0.40) AKR1B1MAPTSMN1; SMN2LMNATP53
SCHEMBL8400428 0.88 AKR1B1 (0.41) AKR1B1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL8398067 0.86 AKR1B1 (0.46) AKR1B1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL8395578 0.86 AKR1B1 (0.39) AKR1B1MAPTKMT2APTGDR2LMNA
SCHEMBL8396282 0.86 AKR1B1 (0.40) AKR1B1KMT2APTGDR2NPC1
SCHEMBL8397855 0.86 AKR1B1 (0.40) AKR1B1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL8395488 0.85 MTNR1A (0.39) MTNR1AMTNR1BAKR1B1MAPTKMT2A

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