SCHEMBL16146993

SCHEMBL16146993

Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)cc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.74
CA1 P00915 5/20 0.59
CA9 Q16790 5/20 0.59
CA12 O43570 3/20 0.59
CA2 P00918 3/20 0.58
CA4 P22748 2/20 0.58
LPAR1 Q92633 1/20 0.58
LPAR5 Q9H1C0 1/20 0.58
LPAR3 Q9UBY5 1/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.57
GFER P55789 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.52
PTPN7 P35236 1/20 0.52
PTPN22 Q9Y2R2 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PTGES O14684 1/20 0.50

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
SCHEMBL9564302 0.90 POLB (0.68) NPSR1CA1CA9CA12CA2
SCHEMBL12311922 0.86 ALDH1A1 (0.63) NPSR1CA1CA9CA12CA2
SCHEMBL20513018 0.86 POLB (0.65) NPSR1CA1CA9CA12CA2
SCHEMBL9803534 0.85 LPAR1 (0.77) NPSR1CA1CA9CA12CA2
SCHEMBL10606077 0.84 NPSR1 (0.69) NPSR1CA1CA9CA12CA2
SCHEMBL25161442 0.83 CA9 (0.65) NPSR1CA1CA9CA12CA2
SCHEMBL26227651 0.82 CA1 (0.61) CA1CA9CA12CA2CA4
SCHEMBL5010660 0.82 ALDH1A1 (0.70) NPSR1CA1CA9CA12CA2
SCHEMBL5010584 0.81 CA9 (0.85) NPSR1CA1CA9CA12CA2
SCHEMBL9339007 0.81 CA9 (0.77) NPSR1CA1CA9CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10064842-B2 KCNQ channels as therapeutic targets WASHINGTON UNIVERSITY (US) 2018-09-04 US disclosed
US-20160228411-A1 KCNQ CHANNELS AS THERAPEUTIC TARGETS WASHINGTON UNIVERSITY (US) 2016-08-11 US disclosed
US-9345688-B2 KCNQ channels as therapeutic targets WASHINGTON UNIVERSITY (US) 2016-05-24 US disclosed
US-20140303226-A1 KCNQ CHANNELS AS THERAPEUTIC TARGETS WASHINGTON UNIVERSITY (US) 2014-10-09 US disclosed