SCHEMBL8399138

SCHEMBL8399138

CCCCc1ccc(N(CC#N)C(=O)CCC(=O)OCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP4Z1 Q86W10 2/20 0.37
CYP4F11 Q9HBI6 1/20 0.37
CYP4F12 Q9HCS2 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DGKA P23743 1/20 0.35

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
SCHEMBL8397881 0.93 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL8401569 0.88 HPGD (0.39) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL8395804 0.88 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ALTB4R2
SCHEMBL8395843 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1LTB4R2
SCHEMBL8399169 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1LTB4R2
SCHEMBL8399091 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL8400489 0.85 MAPK1 (0.44) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8400187 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL8396409 0.84 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1LTB4R2
SCHEMBL8399331 0.84 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1HPGD

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