SCHEMBL13476271

SCHEMBL13476271

CS(=O)(=O)c1ccc(N2CCOCC2)c(COc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3sc(C(N)=O)cc32)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
MAOB P27338 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL13476274 0.94 ALDH1A1 (0.33) ALDH1A1USP2LMNATSHRKDM4E
SCHEMBL13476248 0.93 ALDH1A1 (0.35) ALDH1A1USP2LMNATSHRKDM4E
SCHEMBL12428662 0.86 SCN9A (0.39) ALDH1A1USP2LMNATSHRKDM4E
Hydrochloric Acid SCHEMBL773003 0.86 SCN9A (0.38) ALDH1A1USP2LMNATSHRKDM4E
SCHEMBL12428583 0.83 PRKCA (0.41) ALDH1A1USP2LMNATSHRKDM4E
Hydrochloric Acid SCHEMBL771907 0.83 PRKCA (0.41) ALDH1A1USP2LMNATSHRKDM4E
SCHEMBL13476320 0.80 FFAR4 (0.32) ALDH1A1MAOB
SCHEMBL10252741 0.80 SCN9A (0.37) ALDH1A1USP2LMNATSHRKDM4E
SCHEMBL12428671 0.80 TRPM8 (0.34) ALDH1A1USP2LMNATSHRCA12
Hydrochloric Acid SCHEMBL771301 0.79 TRPM8 (0.34) ALDH1A1USP2LMNATSHRCA12

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-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed