SCHEMBL12428583

SCHEMBL12428583

CS(=O)(=O)c1ccc(N2CCOCC2)c(COc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
SCN9A Q15858 3/20 0.39
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NR1I2 O75469 2/20 0.36
KDM4E B2RXH2 1/20 0.34
SLC6A9 P48067 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL771907 0.99 PRKCA (0.41) PRKCAMMP12SCN9AALDH1A1USP2
SCHEMBL12428662 0.94 SCN9A (0.39) PRKCAMMP12SCN9AALDH1A1USP2
Hydrochloric Acid SCHEMBL773003 0.94 SCN9A (0.38) PRKCAMMP12SCN9AALDH1A1USP2
SCHEMBL12428587 0.90 PRKCA (0.40) PRKCAMMP12SCN9AALDH1A1USP2
SCHEMBL12427666 0.90 SCN9A (0.40) PRKCAMMP12SCN9AALDH1A1USP2
Hydrochloric Acid SCHEMBL771450 0.90 PRKCA (0.40) PRKCAMMP12SCN9AALDH1A1USP2
SCHEMBL12428590 0.90 PRKCA (0.42) PRKCAMMP12SCN9AALDH1A1USP2
SCHEMBL10283208 0.89 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2KDM4E
Hydrochloric Acid SCHEMBL772246 0.89 PRKCA (0.42) PRKCAMMP12SCN9AALDH1A1USP2
SCHEMBL803980 0.89 SCN9A (0.38) PRKCAMMP12SCN9AALDH1A1USP2

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
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed