SCHEMBL10394584

SCHEMBL10394584

Nc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc(N)c(S(=O)(=O)O)cc4S(=O)(=O)O)c(O)c3c2N)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.54
▸ ENPP2 Q13822 7/20 0.53
▸ PRMT1 Q99873 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP2C9 P11712 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ DNASE1L3 Q13609 1/20 0.45
▸ THRB P10828 2/20 0.43
▸ PHLPP2 Q6ZVD8 2/20 0.43
▸ USP2 O75604 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ APP P05067 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL10393844 0.95 CYP1A2 (0.54) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL9645831 0.92 CYP1A2 (0.58) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL10651926 0.87 ENPP2 (0.48) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL10394548 0.86 ENPP2 (0.66) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL10706610 0.86 ENPP2 (0.66) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL10448230 0.86 ENPP2 (0.55) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL9175069 0.86 ENPP2 (0.55) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL9174220 0.86 ENPP2 (0.55) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL10448712 0.86 ENPP2 (0.55) CYP1A2ENPP2PRMT1MEN1KMT2A
SCHEMBL13892267 0.84 ENPP2 (0.51) CYP1A2ENPP2PRMT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4912244-A Vinylsulfonylalkylamino-alkylamines as intermediates for the preparation of fiber-reactive dyes CIBA-GEIGY CORPORATION (US) 1990-03-27 — — US disclosed
US-4782140-A Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge CIBA-GIEGY CORPORATION (US) 1988-11-01 — — US disclosed
EP-0144766-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-10-05 — — EP disclosed
EP-0159292-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1988-01-07 — — EP disclosed
EP-0159292-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-23 — — EP disclosed
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