SCHEMBL10617375

SCHEMBL10617375

CCCn1c(O)c(N=Nc2cc(N)ccc2S(=O)(=O)O)c(C)c(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ ATIC P31939 1/20 0.34
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ ADORA2B P29275 5/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ MPL P40238 2/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL8779900 0.83 CA12 (0.41) CA12CA1CA2CA9SUMO2
SCHEMBL10615290 0.83 PHLPP2 (0.35) CA12CA1CA2CA9ATIC
SCHEMBL10618146 0.82 ALDH1A1 (0.37) CA12CA1CA2CA9ATIC
SCHEMBL10618126 0.81 ATIC (0.33) CA12CA1CA2CA9ATIC
SCHEMBL8636714 0.81 ATIC (0.35) CA12CA1CA2CA9ATIC
SCHEMBL10615148 0.79 KDM4E (0.38) CA12CA1CA2CA9ATIC
SCHEMBL8008363 0.78 SUMO2 (0.36) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13763486 0.77 SUMO2 (0.34) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL16364929 0.77 ALDH1A1 (0.32) ATICSUMO2SUMO1SENP7SENP2
SCHEMBL10616395 0.77 P2RX3 (0.33) CA12CA1CA2CA9MAPT

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
EP-0167219-B1 FIBER-REACTIVE COMPOUND HAVING BOTH PYRIDINIOTRIAZINYL AND VINYLSULFONE TYPE GROUPS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-28 — — EP disclosed
US-4626589-A Organic dye compound having both pyridiniotriazinyl and vinylsulfone type fiber-reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-02 — — US disclosed
EP-0167219-A1 Fiber-reactive compound having both pyridiniotriazinyl and vinylsulfone type groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-08 — — EP disclosed
Send feedback