SCHEMBL8399283

SCHEMBL8399283

CCSc1cccc(N(CC#N)C(=O)CCC(=O)OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FDFT1 P37268 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TP53 P04637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
POLQ O75417 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
SCHEMBL8399225 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL8399315 0.89 SMN1; SMN2 (0.37) SMN1; SMN2MAPTFDFT1RAB9AMTNR1A
SCHEMBL8398013 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1RAB9AHTT
SCHEMBL8399140 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTGAAFDFT1ALDH1A1
SCHEMBL8400188 0.83 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EFDFT1ALDH1A1RAB9A
SCHEMBL8400306 0.82 KMT2A (0.43) SMN1; SMN2ALDH1A1RAB9AHTTTP53
SCHEMBL8397876 0.82 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1SIRT2MTNR1A
SCHEMBL8397055 0.82 HTT (0.46) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL8398029 0.81 LTB4R2 (0.42) SMN1; SMN2FDFT1POLQNPC1MEN1
SCHEMBL8399042 0.81 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2FDFT1ALDH1A1RAB9A

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