SCHEMBL8396325

SCHEMBL8396325

CCCc1csc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.31
AKR1B1 P15121 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NAAA Q02083 1/20 0.30
P2RX3 P56373 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
SCHEMBL8396628 0.90 P2RX3 (0.34) SMN1; SMN2NPSR1L3MBTL1P2RX3
SCHEMBL8399211 0.88 AKR1B1 (0.33) HDAC6AKR1B1TP53
SCHEMBL8399620 0.86 AKR1B1 (0.39) HDAC6AKR1B1GAA
SCHEMBL8399252 0.85 AKR1B1 (0.36) HDAC6AKR1B1GAASMN1; SMN2
SCHEMBL8400120 0.85 LTB4R2 (0.37) AKR1B1TP53L3MBTL1
SCHEMBL8395543 0.84
SCHEMBL8400517 0.80 SMN1; SMN2 (0.34) SMN1; SMN2NPSR1L3MBTL1NAAAP2RX3
SCHEMBL8396071 0.79 LTB4R2 (0.36) TP53
SCHEMBL8396435 0.79 AKR1B1 (0.32) AKR1B1NAAA
SCHEMBL8395274 0.78 AKR1B1 (0.37) AKR1B1TP53GAASMN1; SMN2NAAA

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