SCHEMBL8395359

SCHEMBL8395359

CCCc1csc(N(Cc2nc3cc(F)cc(F)c3s2)C(=O)CCC(=O)OCC)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
P2RX3 P56373 1/20 0.31
GAA P10253 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8399299 0.90 AKR1B1 (0.37) AKR1B1SMN1; SMN2TDP1KDM4ELMNA
SCHEMBL8399620 0.90 AKR1B1 (0.39) AKR1B1GAALMNA
SCHEMBL8396628 0.87 P2RX3 (0.34) SMN1; SMN2P2RX3TDP1MEN1KMT2A
SCHEMBL8396070 0.86
SCHEMBL8395400 0.86 SMN1; SMN2 (0.39) AKR1B1SMN1; SMN2P2RX3GAATDP1
SCHEMBL8400557 0.82 SMN1; SMN2 (0.41) AKR1B1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL8395933 0.81 SMN1; SMN2 (0.51) AKR1B1SMN1; SMN2GAATDP1MEN1
SCHEMBL8395199 0.81 SMN1; SMN2 (0.43) AKR1B1SMN1; SMN2P2RX3TDP1MEN1
SCHEMBL8397848 0.80 AKR1B1 (0.37) AKR1B1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL8396432 0.80 SMN1; SMN2 (0.38) AKR1B1SMN1; SMN2TDP1MEN1KMT2A

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