SCHEMBL19829269

SCHEMBL19829269

CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(Cc5ccc(N6C(=O)c7ccc(C(=O)c8ccc9c(c8)C(=O)N(C)C9=O)cc7C6=O)cc5)cc3)C4=O)cc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
CA12 O43570 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
STAT3 P40763 1/20 0.49
ENPP2 Q13822 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
PPARA Q07869 1/20 0.47
MEN1 O00255 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
APEX1 P27695 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL890283 0.96 CA9 (0.56) CA9CA1CA2CA4CA12
SCHEMBL18905644 0.92 NPSR1 (0.62) CA9CA1CA2CA4CA12
SCHEMBL12891168 0.92 CA9 (0.52) CA9CA1CA2CA4CA12
SCHEMBL17637219 0.89 NPSR1 (0.50) CA9CA1CA2CA4CA12
SCHEMBL25712313 0.89 CA9 (0.49) CA9CA1CA2CA4CA12
SCHEMBL7593002 0.87 CA9 (0.65) CA9CA1CA2CA4CA12
SCHEMBL12891172 0.86 CA9 (0.63) CA9CA1CA2CA4CA12
SCHEMBL10098939 0.85 ALDH1A1 (0.59) CA9CA1CA2CA4CA12
SCHEMBL10098940 0.84 CA9 (0.60) CA9CA1CA2CA4CA12
SCHEMBL15081658 0.84 ALDH1A1 (0.54) CA9CA1CA2CA4CA12

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
US-20180028984-A1 POLYIMIDE MIXTURE AND GAS SEPARATION MEMBRANE TAIWAN TEXTILE RESEARCH INSTITUTE (TW) 2018-02-01 US disclosed