SCHEMBL13258367

SCHEMBL13258367

O=C(CCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(O)cc1)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
TP53 P04637 3/20 0.42
TLR4 O00206 2/20 0.41
RAB9A P51151 1/20 0.40
PNP P00491 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.39
IGSF11 Q5DX21 1/20 0.39
PPARG P37231 2/20 0.38
TGM2 P21980 1/20 0.37
PABPC1 P11940 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2569630 0.86 FADS1 (0.47) LMNATP53TLR4RAB9APNP
SCHEMBL13258395 0.83 FADS1 (0.41) LMNATP53PNPALDH1A1MEN1
SCHEMBL13258372 0.80 ALDH1A1 (0.37) LMNAALDH1A1MEN1HTTKMT2A
SCHEMBL13258410 0.79 ALDH1A1 (0.39) LMNAALDH1A1MEN1HTTKMT2A
SCHEMBL13257579 0.78 PDE7A (0.38) LMNAPNPALDH1A1KDM4EMEN1
SCHEMBL13257621 0.78 APLNR (0.48) LMNATP53
SCHEMBL13257622 0.77 ALDH1A1 (0.41) LMNAALDH1A1MEN1HTTKMT2A
SCHEMBL13257499 0.77 HSP90AA1 (0.35) LMNATP53ALDH1A1KDM4EMEN1
SCHEMBL13258368 0.76 ALDH1A1 (0.40) LMNAALDH1A1MEN1HTTKMT2A
SCHEMBL13257587 0.76 PDE7A (0.53) LMNATP53ALDH1A1MEN1HTT

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
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed