SCHEMBL5234576

SCHEMBL5234576

Cn1c(-c2ccccc2)c(C2CCCCC2)c2sc(OC(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.34
FABP4 P15090 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAT2A P31153 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
SCHEMBL5227012 0.91 CYP3A4 (0.40) SCN9ACNR1TP53MAPTCYP2C19
SCHEMBL5234397 0.83 CNR1 (0.36) CNR1ALDH1A1FABP4MAPTPOLB
SCHEMBL2997466 0.83 TP53 (0.39) SCN9ACNR1ALDH1A1RAB9AFABP4
SCHEMBL5233817 0.82 CYP2D6 (0.38) ALDH1A1MAPT
SCHEMBL5230758 0.80 AAK1 (0.35) SCN9A
SCHEMBL5230063 0.77 EGFR (0.41) TP53MAPTCYP2C19HSD17B10
SCHEMBL5228717 0.74 ALDH1A1 (0.38) ALDH1A1RAB9ATP53MAPT
SCHEMBL5231037 0.74 GRIN2B (0.38) MAPT
SCHEMBL5232300 0.74 CYP2D6 (0.33) CNR1MAPT
SCHEMBL13211536 0.74 PTGDR (0.36) SCN9ATP53MAPTPOLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed