SCHEMBL8396409

SCHEMBL8396409

CCCOC(=O)CCC(=O)N(CC#N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLQ O75417 1/20 0.41
TOP2A P11388 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL8398077 0.91 SMN1; SMN2 (0.72) SMN1; SMN2TP53MEN1KMT2APOLQ
SCHEMBL8395843 0.89 SMN1; SMN2 (0.51) SMN1; SMN2TP53MEN1KMT2ALMNA
SCHEMBL8400187 0.88 SMN1; SMN2 (0.44) SMN1; SMN2TP53MEN1KMT2ALMNA
SCHEMBL8399091 0.88 SMN1; SMN2 (0.44) SMN1; SMN2TP53MEN1KMT2ALMNA
SCHEMBL8399169 0.88 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL8400489 0.88 MAPK1 (0.44) SMN1; SMN2TP53LMNAALDH1A1TSHR
SCHEMBL8396315 0.87 SMN1; SMN2 (0.47) SMN1; SMN2TP53MEN1KMT2APOLQ
SCHEMBL8396079 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TP53LMNAALDH1A1TSHR
SCHEMBL8395804 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALMNALTB4R2
SCHEMBL8399213 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TP53MEN1KMT2ATDP1

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