SCHEMBL8435824

SCHEMBL8435824

COc1ccc(CSC2CC(C(=O)N3CCN(CCO)CC3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.44
KCNH2 Q12809 2/20 0.44
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
GAA P10253 3/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL8536785 1.00 KCNJ1 (0.44) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9127639 0.92 KCNJ1 (0.41) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8537216 0.92 KCNJ1 (0.42) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8438198 0.91 KCNJ1 (0.42) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8435703 0.91 KCNJ1 (0.42) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8436501 0.91 GAA (0.42) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9127478 0.90 KCNJ1 (0.40) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9126666 0.89 ALDH1A1 (0.39) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9124566 0.89 KCNJ1 (0.40) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9126481 0.89 KCNJ1 (0.40) KCNJ1KCNH2ALDH1A1MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed