SCHEMBL9402372

SCHEMBL9402372

COc1nc(Cl)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
MAPT P10636 4/20 0.47
CHAT P28329 2/20 0.47
LMNA P02545 2/20 0.47
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB1 P19838 1/20 0.47
GAA P10253 1/20 0.46
APP P05067 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RY2 P41231 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
SCHEMBL115411 0.87 NFKB1 (0.56) PTK2CA1CA2CA9CA12
SCHEMBL10174701 0.86 MAPT (0.48) CA1CA2CA9MAPTLMNA
SCHEMBL7890204 0.84 PRMT1 (0.51) CA1CA2CA9CA12MAPT
SCHEMBL12589915 0.84 NFKB1 (0.54) PTK2CA1CA2CA9CA12
SCHEMBL6851119 0.83 MEN1 (0.61) CA1CA2CA9CA12MAPT
SCHEMBL7890104 0.82 NSD2 (0.55) CA1CA2CA9CA12MAPT
SCHEMBL15315669 0.81 PDE5A (0.52) CA1CA2CA9MAPTLMNA
SCHEMBL15316268 0.81 KCNH3 (0.46) CA1CA2CA9MAPTCHAT
SCHEMBL10490862 0.80 SNCA (0.54) PTK2CA1CA2CA9CA12
SCHEMBL2206071 0.79 CA1 (0.45) PTK2CA1CA2CA9CA12

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-5334709-A Fiber-reactive dyes for cellulose materials, wool, polyamides; deep shades HOECHST AG (DE) 1994-08-02 US disclosed
EP-0548795-A2 Water-soluble reactive dyes, their manufacture and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed