SCHEMBL8400306

SCHEMBL8400306

COC(=O)CCC(=O)N(CC#N)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PAX8 Q06710 2/20 0.41
JAK2 O60674 1/20 0.41
HTT P42858 1/20 0.41
POLQ O75417 6/20 0.41
TP53 P04637 1/20 0.40
GPX4 P36969 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL8396593 0.90 SMN1; SMN2 (0.54) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL8400465 0.86 MTNR1A (0.52) KMT2ANPC1RAB9ATP53
SCHEMBL8399042 0.86 SMN1; SMN2 (0.39) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8398029 0.86 LTB4R2 (0.42) KMT2AMEN1SMN1; SMN2NPC1POLQ
SCHEMBL8399140 0.86 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL8396315 0.86 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL8400558 0.85 SMN1; SMN2 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL8400188 0.85 SMN1; SMN2 (0.40) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8399315 0.84 SMN1; SMN2 (0.37) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL8397876 0.84 SMN1; SMN2 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1TP53

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