SCHEMBL13793161

SCHEMBL13793161

Cc1ccc(N=Nc2cc(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3SOOO)c(N)cc2N)c(S(=O)(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL14159577 0.90 PHLPP2 (0.32) PHLPP2
SCHEMBL13793188 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1NPC1CYP1A2
SCHEMBL12052537 0.83 PTGS1 (0.35) ALDH1A1MEN1CYP3A4KMT2ATP53
SCHEMBL13387146 0.83 — —
SCHEMBL14546970 0.82 PHLPP2 (0.37) ALDH1A1KDM4EMAPTRAB9APHLPP2
SCHEMBL12052525 0.82 P2RX5 (0.32) ALDH1A1KDM4EMAPTRAB9APHLPP2
SCHEMBL12052540 0.82 KDM4E (0.34) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL13868305 0.82 — —
SCHEMBL13996418 0.81 ENPP2 (0.33) PHLPP2
SCHEMBL12052860 0.80 PHLPP2 (0.41) ALDH1A1KDM4EMEN1NPC1CYP1A2

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-7540883-B2 good build-up, wash-off and light fastness and can be applied with dyestuffs in other colors; suitable for dyeing leather, wool, silk, nylon, cellulose fibers and cellulose fiber blends or interwoven fabrics EVERLIGHT USA, INC. (US) 2009-06-02 — — US disclosed
US-20080282484-A1 Reactive yellow dye composition EVERLIGHT USA, INC. (US) 2008-11-20 — — US disclosed
Send feedback