SCHEMBL13815114

SCHEMBL13815114

CCCCCCCCCCCCCCCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.71
▸ CA2 P00918 13/20 0.71
▸ CA9 Q16790 13/20 0.71
▸ CA12 O43570 6/20 0.71
▸ CA14 Q9ULX7 2/20 0.69
▸ CA7 P43166 1/20 0.69
▸ FKBP1A P62942 2/20 0.61
▸ ADORA3 P0DMS8 2/20 0.60
▸ ADORA2A P29274 2/20 0.60
▸ ADORA1 P30542 1/20 0.60
▸ HTR3A P46098 2/20 0.59

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
SCHEMBL13219607 0.99 CA1 (0.72) CA1CA2CA9CA12CA14
SCHEMBL19426705 0.97 CA9 (0.71) CA1CA2CA9CA12CA14
SCHEMBL12185092 0.93 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL12678101 0.93 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL13915130 0.92 CA9 (0.73) CA1CA2CA9CA12CA14
SCHEMBL24444501 0.91 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL19788027 0.91 CA1 (0.61) CA1CA2CA9CA12CA14
SCHEMBL22030342 0.90 CA1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL14164948 0.90 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL16525362 0.90 CA1 (0.64) CA1CA2CA9CA12CA14

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-7544454-B2 Photoreceptor layer having rhodamine additive XEROX CORPORATION (US) 2009-06-09 — — US disclosed
US-20080311498-A1 PHOTORECEPTOR LAYER HAVING RHODAMINE ADDITIVE XEROX CORPORATION (US) 2008-12-18 — — US disclosed
US-7427462-B2 Photoreceptor layer having rhodamine additive XEROX CORPORATION (US) 2008-09-23 — — US disclosed
US-20070048640-A1 Photoreceptor layer having rhodamine additive XEROX CORPORATION (US) 2007-03-01 — — US disclosed
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