SCHEMBL8399243

SCHEMBL8399243

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLQ O75417 1/20 0.38
HCRTR2 O43614 1/20 0.37
TSHR P16473 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL8397986 0.92 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMAPTCYP2C9CYP2C19
SCHEMBL8400240 0.89 MLYCD (0.40) SMN1; SMN2LMNAMAPTPOLQTP53
SCHEMBL8400330 0.87 SMN1; SMN2 (0.59) SMN1; SMN2MAPTHCRTR2TSHRTP53
SCHEMBL8395306 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTCYP2C9CYP2C19
SCHEMBL8395828 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTCYP2C9CYP2C19
SCHEMBL8396622 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTTSHRPOLB
SCHEMBL8398077 0.84 SMN1; SMN2 (0.72) SMN1; SMN2POLQTSHRTP53POLB
SCHEMBL8396419 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAMAPTCYP2C9CYP2C19
SCHEMBL8396219 0.82 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTCYP4F2CYP4A11
SCHEMBL8395198 0.82 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTCYP2C9CYP2C19

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