SCHEMBL8399213

SCHEMBL8399213

CCCOC(=O)CCC(=O)N(CC#N)c1cccc(CCC)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.36
CDYL Q9Y232 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
TP53 P04637 1/20 0.34
APP P05067 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP2D6 P10635 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL8395385 0.93 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ATDP1CDYL
SCHEMBL8398050 0.93 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ALTB4R2TP53
SCHEMBL8397876 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ATP53KDM4E
SCHEMBL8396315 0.88 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ATDP1LTB4R2
SCHEMBL8399172 0.87 LTB4R2 (0.45) SMN1; SMN2MEN1KMT2ALTB4R2TP53
SCHEMBL8400205 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALTB4R2TP53
SCHEMBL8399265 0.87 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALTB4R2
SCHEMBL8396409 0.86 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ATDP1LTB4R2
SCHEMBL8396177 0.86 MTNR1A (0.45) SMN1; SMN2MEN1KMT2ATDP1LTB4R2
SCHEMBL8396222 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALTB4R2KDM4E

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