SCHEMBL8399249

SCHEMBL8399249

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 3/20 0.35
HSP90AA1 P07900 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL8395828 0.88 SMN1; SMN2 (0.53) HPGDKMT2AMEN1CYP1A2L3MBTL1
SCHEMBL8400320 0.88 SMN1; SMN2 (0.46) HPGDKMT2AATMALDH1A1NPSR1
SCHEMBL8399145 0.86 ATM (0.41) HPGDKMT2AATML3MBTL1ALDH1A1
SCHEMBL8395962 0.86 MDM2 (0.43) KMT2ACYP1A2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8399081 0.86 ALDH1A1 (0.47) KMT2AMEN1ATML3MBTL1ALDH1A1
SCHEMBL8400558 0.86 SMN1; SMN2 (0.54) HPGDKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8399042 0.85 SMN1; SMN2 (0.39) HPGDKMT2AMEN1CYP1A2ATM
SCHEMBL8399091 0.85 SMN1; SMN2 (0.44) HPGDKMT2AMEN1ATML3MBTL1
SCHEMBL8395457 0.84 MAPT (0.39) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL8400240 0.84 MLYCD (0.40) KMT2AALDH1A1POLBSMN1; SMN2LMNA

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