SCHEMBL8397933

SCHEMBL8397933

CCOC(=O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 6/20 0.37
STING1 Q86WV6 2/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
DHODH Q02127 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL8400557 0.93 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MAPTKDM4ENPSR1
SCHEMBL8395199 0.93 SMN1; SMN2 (0.43) SMN1; SMN2AKR1B1KMT2AMEN1TDP1
SCHEMBL8396278 0.91 AKR1B1 (0.41) SMN1; SMN2AKR1B1TSHR
SCHEMBL8395933 0.91 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B1KMT2AMEN1TDP1
SCHEMBL8396378 0.90 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1KMT2AMEN1TDP1
SCHEMBL8395400 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1KMT2AMEN1TDP1
SCHEMBL8399094 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1KMT2AMEN1MAPT
SCHEMBL8401802 0.89 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1KMT2AMEN1TDP1
SCHEMBL8399296 0.89 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1KMT2AMEN1TDP1
SCHEMBL8396400 0.88 MEN1 (0.38) SMN1; SMN2AKR1B1KMT2AMEN1L3MBTL1

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