SCHEMBL14650625

SCHEMBL14650625

CC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C5=O)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C5=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 20/20 0.60
▸ CA9 Q16790 18/20 0.60
▸ CA1 P00915 16/20 0.60
▸ CA12 O43570 12/20 0.60
▸ SCN2A Q99250 1/20 0.47
▸ CA4 P22748 3/20 0.44
▸ CA7 P43166 2/20 0.40

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
SCHEMBL14650554 0.86 CA2 (0.48) CA2CA9CA1CA12SCN2A
SCHEMBL14650634 0.83 TDP1 (0.43) —
SCHEMBL18347260 0.83 CA2 (0.87) CA2CA9CA1CA12SCN2A
SCHEMBL14650638 0.82 PDE6D (0.41) CA2CA9CA1CA12
SCHEMBL14650703 0.81 TDP1 (0.41) —
SCHEMBL14650653 0.80 MGLL (0.43) —
SCHEMBL14650726 0.78 CA12 (0.36) CA2CA9CA1CA12
SCHEMBL14650718 0.77 CA12 (0.35) CA2CA9CA1CA12
SCHEMBL14650677 0.75 KMT2A (0.38) —
SCHEMBL14650721 0.74 KMT2A (0.34) CA2CA9CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
Send feedback