SCHEMBL8395457

SCHEMBL8395457

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
OXTR P30559 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
FDFT1 P37268 1/20 0.36
MLYCD O95822 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8396219 0.89 SMN1; SMN2 (0.51) OXTRKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL8395962 0.87 MDM2 (0.43) MAPTKMT2ASMN1; SMN2FDFT1HTT
SCHEMBL8400488 0.85 SMN1; SMN2 (0.42) MAPTTP53POLBRAB9AOXTR
SCHEMBL8400320 0.85 SMN1; SMN2 (0.46) MAPTRAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL8399249 0.84 HPGD (0.47) MAPTTP53GAAPOLBKMT2A
SCHEMBL8399145 0.84 ATM (0.41) MAPTGAAPOLBKMT2ASMN1; SMN2
SCHEMBL8399081 0.84 ALDH1A1 (0.47) MAPTTP53POLBRAB9AKMT2A
SCHEMBL8400558 0.84 SMN1; SMN2 (0.54) MAPTTP53KMT2AMEN1SMN1; SMN2
SCHEMBL8400240 0.82 MLYCD (0.40) MAPTTP53POLBKMT2ASMN1; SMN2
SCHEMBL8399007 0.82 SMN1; SMN2 (0.37) MAPTGAAKMT2ASMN1; SMN2FDFT1

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