SCHEMBL15745965

SCHEMBL15745965

Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2C)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
CA9 Q16790 4/20 0.56
CA1 P00915 3/20 0.56
CA12 O43570 2/20 0.56
HTT P42858 2/20 0.50
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
CASP1 P29466 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA2 P00918 2/20 0.44
CA4 P22748 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL7593002 0.90 CA9 (0.65) NPSR1CA9CA1CA12HTT
SCHEMBL12420685 0.88 NPSR1 (0.73) NPSR1CA9CA1CA12HTT
SCHEMBL12891172 0.88 CA9 (0.63) NPSR1CA9CA1CA12HTT
SCHEMBL10098940 0.86 CA9 (0.60) NPSR1CA9CA1CA12HTT
SCHEMBL8276142 0.85 MAPK1 (0.58) NPSR1CA9CA1CA12HTT
SCHEMBL12325081 0.84 ALDH1A1 (0.49) NPSR1CA9CA1CA12HTT
SCHEMBL17946429 0.84 CA9 (0.72) NPSR1CA9CA1CA12HTT
SCHEMBL15397059 0.82 NPSR1 (0.57) NPSR1CA9CA1CA12HTT
SCHEMBL12891174 0.82 CA9 (0.56) NPSR1CA9CA1CA12HTT
SCHEMBL13610012 0.82 TDP1 (0.56) NPSR1CA9CA1CA12HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9050566-B2 Gas separation membrane CENTRAL GLASS COMPANY, LIMITED (JP) 2015-06-09 US disclosed
US-20140144324-A1 Gas Separation Membrane CENTRAL GLASS COMPANY, LIMITED (JP) 2014-05-29 US disclosed