SCHEMBL7206671

SCHEMBL7206671

Cc1cccc(O)c1NC(C)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.44
KRAS P01116 1/20 0.43
SOS1 Q07889 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL6264989 0.80 SOS1 (0.55) KRASSOS1
SCHEMBL3879337 0.76 CXCR2 (0.46) LMNAGAAAURKB
SCHEMBL3879390 0.72 TRPA1 (0.45) LMNAGAACYP1A2
SCHEMBL12871845 0.71 ALDH1A1 (0.54) LTC4SLMNAGAACYP1A2
SCHEMBL15540540 0.71 ALDH1A1 (0.54) LTC4SLMNAGAACYP1A2
SCHEMBL9089450 0.71 CASR (0.54)
SCHEMBL7206660 0.71 CASR (0.54)
SCHEMBL8518963 0.70 LMNA (0.61) LTC4SLMNAGAA
SCHEMBL7263715 0.70 LMNA (0.61) LTC4SLMNAGAA
SCHEMBL2934798 0.70 LMNA (0.61) LTC4SLMNAGAA

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-0907631-B1 INORGANIC ION RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2003-06-18 EP disclosed