SCHEMBL8397986

SCHEMBL8397986

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
POLQ O75417 1/20 0.36
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MLYCD O95822 1/20 0.32

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
SCHEMBL8399243 0.92 SMN1; SMN2 (0.51) SMN1; SMN2POLQMAPTLMNAMEN1
SCHEMBL8395843 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL8399169 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL8400187 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL8400489 0.86 MAPK1 (0.44) SMN1; SMN2MAPTLMNATSHRTP53
SCHEMBL8399091 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL8396409 0.85 SMN1; SMN2 (0.59) SMN1; SMN2POLQLMNAMEN1KMT2A
SCHEMBL8400240 0.85 MLYCD (0.40) SMN1; SMN2POLQMAPTLMNAKMT2A
SCHEMBL8396079 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNATSHRTP53
SCHEMBL8395804 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAMEN1KMT2A

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