SCHEMBL8399341

SCHEMBL8399341

Cc1ccsc1N(Cc1nc2ccc(F)c(F)c2s1)C(=O)CCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.35
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NAAA Q02083 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
SCHEMBL8396436 0.90 SMN1; SMN2 (0.36) AKR1B1TDP1NAAA
SCHEMBL8396435 0.89 AKR1B1 (0.32) AKR1B1POLBTDP1NAAA
SCHEMBL8399160 0.86 AKR1B1 (0.34) AKR1B1POLBTDP1NAAA
SCHEMBL8398697 0.85 AKR1B1 (0.42) AKR1B1
SCHEMBL8400716 0.84 AKR1B1 (0.38) AKR1B1POLBTDP1
SCHEMBL8395421 0.83 AKR1A1 (0.43) AKR1B1
SCHEMBL8395480 0.83 AKR1B1 (0.40) AKR1B1POLBNAAA
SCHEMBL8399708 0.83 AKR1B1 (0.35) AKR1B1
SCHEMBL8399211 0.82 AKR1B1 (0.33) AKR1B1POLB
SCHEMBL8395274 0.81 AKR1B1 (0.37) AKR1B1POLBNAAA

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