SCHEMBL8399208

SCHEMBL8399208

CCOC(=O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
AKR1B1 P15121 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8398955 0.93 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8397992 0.91 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8396310 0.91 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8399110 0.90 ALDH1A1 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8400221 0.89 AKR1B1 (0.43) AKR1B1TRPM8MEN1KMT2AATM
SCHEMBL8395386 0.89 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8396242 0.89 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL8395389 0.86 SMN1; SMN2 (0.35) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8399112 0.85 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1TRPM8MEN1KMT2A
SCHEMBL8398032 0.85 SMN1; SMN2 (0.44) SMN1; SMN2AKR1B1MEN1KMT2AMAPT

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