SCHEMBL12053200

SCHEMBL12053200

Nc1cc(O)c(/N=N/c2ccc(S(=O)(=O)CCOSOOO)cc2S(=O)(=O)O)cc1/N=N/c1ccccc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ P2RX5 Q93086 2/20 0.32
▸ P2RX4 Q99571 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ SENP2 Q9HC62 3/20 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
SCHEMBL12053204 1.00 BRD4 (0.33) BRD4TP53CREBBPCYP1A2P2RX5
SCHEMBL12053192 0.95 BRD4 (0.36) BRD4TP53CREBBPP2RX5P2RX4
SCHEMBL12053152 0.95 SENP2 (0.32) CYP1A2P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053232 0.94 ALDH1A1 (0.34) CYP1A2P2RX5P2RX4P2RX2KDM4E
SCHEMBL12053194 0.91 THRB (0.39) BRD4TP53CREBBPCYP1A2P2RX5
SCHEMBL12053137 0.90 P2RX5 (0.34) BRD4TP53CREBBPP2RX5P2RX4
SCHEMBL12053219 0.89 P2RX5 (0.36) P2RX5P2RX4P2RX2KDM4EALDH1A1
SCHEMBL12053197 0.88 KDM4E (0.38) BRD4TP53CREBBPCYP1A2P2RX5
SCHEMBL12052869 0.88 THRB (0.39) BRD4TP53CREBBPCYP1A2P2RX5
SCHEMBL12053254 0.88 ENPP1 (0.33) CYP1A2P2RX5P2RX4P2RX2KDM4E

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-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 — — US disclosed
US-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 — — US disclosed
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