SCHEMBL6509300

SCHEMBL6509300

Cc1cccc2c(=O)c(C(=O)O)c(N3CCC(N(C)CCC#N)C3)n(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.40
JAK2 O60674 2/20 0.40
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
NMT1 P30419 1/20 0.32
KCNH2 Q12809 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
CCR5 P51681 1/20 0.31
MCHR1 Q99705 1/20 0.31
AGTR2 P50052 1/20 0.31
JAK1 P23458 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
SCHEMBL6530270 0.88 JAK2 (0.38) JAK3JAK2KCNH2AGTR2
SCHEMBL6529198 0.87 KCNH2 (0.33) JAK3JAK2FNTAFNTBKCNH2
SCHEMBL6529232 0.74 KCNH2 (0.42) KCNH2
SCHEMBL6509902 0.72 KCNH2 (0.52) JAK3JAK2KCNH2OPRM1OPRD1
SCHEMBL6529870 0.69 KCNH2 (0.38) KCNH2
SCHEMBL6527134 0.69 KCNH2 (0.66) JAK3JAK2KCNH2OPRM1
SCHEMBL6509139 0.64 KCNH2 (0.67) KCNH2OPRM1OPRD1
SCHEMBL5458058 0.63 KCNH2 (0.42) JAK3JAK2KCNH2
SCHEMBL5464858 0.61 KCNH2 (0.40) JAK3JAK2KCNH2OPRM1JAK1
SCHEMBL30476226 0.60 LMNA (0.36)

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-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed