SCHEMBL8399145

SCHEMBL8399145

COC(=O)CCC(=O)N(CC#N)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
MDM2 Q00987 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MLYCD O95822 1/20 0.37

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
SCHEMBL8395306 0.88 SMN1; SMN2 (0.53) ATML3MBTL1SMN1; SMN2NPSR1GAA
SCHEMBL8400320 0.88 SMN1; SMN2 (0.46) ATMSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL8399081 0.86 ALDH1A1 (0.47) ATML3MBTL1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL8399249 0.86 HPGD (0.47) ATML3MBTL1SMN1; SMN2NPSR1GAA
SCHEMBL8395962 0.86 MDM2 (0.43) MDM2L3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8400558 0.86 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL8398029 0.85 LTB4R2 (0.42) MDM2SMN1; SMN2KMT2ALTB4R2
SCHEMBL8399169 0.85 SMN1; SMN2 (0.44) ATML3MBTL1SMN1; SMN2NPSR1GAA
SCHEMBL8395457 0.84 MAPT (0.39) SMN1; SMN2GAAALDH1A1HPGDMAPT
SCHEMBL8400240 0.84 MLYCD (0.40) SMN1; SMN2ALDH1A1MAPTHTTLMNA

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