SCHEMBL3989030

SCHEMBL3989030

Cc1cc2nccc(O)c2c(C)c1Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.39
MPO P05164 1/20 0.39
RORC P51449 7/20 0.38
KLKB1 P03952 3/20 0.38
TNIK Q9UKE5 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL3980836 0.82 PTGDR2 (0.51) CHRM1MPORORCKLKB1PTGDR2
SCHEMBL3982787 0.81 PTGDR2 (0.42) CHRM1RORCKLKB1TNIKPTGDR2
SCHEMBL3986238 0.79 MAPKAPK2 (0.38) KMT2AALDH1A1
SCHEMBL3988868 0.74 MPO (0.48) CHRM1MPORORCKLKB1KMT2A
SCHEMBL2570703 0.71 PTGDR2 (0.46) MPORORCTNIKPTGDR2
SCHEMBL2576178 0.70 PTGDR2 (0.41) CHRM1MPORORCTNIKKDM4E
SCHEMBL2573787 0.70 RORC (0.42) CHRM1RORCKDM4EALDH1A1MAPK1
SCHEMBL2570635 0.69 RORC (0.37) MPORORCPTGDR2
SCHEMBL2568510 0.69 PTGDR2 (0.46) MPORORCTNIKPTGDR2
SCHEMBL2572989 0.69 PTGDR2 (0.44) CHRM1MPORORCTNIKKDM4E

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-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed