SCHEMBL8400558

SCHEMBL8400558

COC(=O)CCC(=O)N(CC#N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.45
POLQ O75417 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MLYCD O95822 1/20 0.40
CACNA1C Q13936 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ESRRB O95718 1/20 0.39
FDFT1 P37268 1/20 0.39

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
SCHEMBL8400320 0.87 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AALDH1A1TSHRHPGD
SCHEMBL8398077 0.87 SMN1; SMN2 (0.72) SMN1; SMN2TP53POLQKMT2AMEN1
SCHEMBL8399081 0.86 ALDH1A1 (0.47) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL8395962 0.86 MDM2 (0.43) SMN1; SMN2KMT2AALDH1A1HSD17B10LMNA
SCHEMBL8399145 0.86 ATM (0.41) SMN1; SMN2KMT2AALDH1A1TSHRHPGD
SCHEMBL8399249 0.86 HPGD (0.47) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL8400306 0.85 KMT2A (0.43) SMN1; SMN2TP53POLQKMT2AMEN1
SCHEMBL8400465 0.84 MTNR1A (0.52) TP53KMT2AHSD17B10
SCHEMBL8399042 0.84 SMN1; SMN2 (0.39) SMN1; SMN2POLQKMT2AMEN1ALDH1A1
SCHEMBL8399140 0.84 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR

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