SCHEMBL8395306

SCHEMBL8395306

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
KCNQ4 P56696 1/20 0.37

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
SCHEMBL8399169 0.91 SMN1; SMN2 (0.44) SMN1; SMN2ATMKDM4EL3MBTL1MAPT
SCHEMBL8400330 0.89 SMN1; SMN2 (0.59) SMN1; SMN2ATMKDM4EL3MBTL1MAPT
SCHEMBL8399145 0.88 ATM (0.41) SMN1; SMN2ATMKDM4EL3MBTL1MAPT
SCHEMBL8395828 0.87 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1MAPTMEN1LMNA
SCHEMBL8396622 0.87 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL8398077 0.86 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EMEN1KMT2AGAA
SCHEMBL8396419 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ATMKDM4EMAPTLMNA
SCHEMBL8398241 0.85 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1MAPTLMNALTB4R2
SCHEMBL8395198 0.85 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EMAPTMEN1LMNA
SCHEMBL8399243 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMEN1LMNACYP2C9

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