SCHEMBL7536273

SCHEMBL7536273

CN(c1ccc(/N=N/c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)cc1)c1nc(Cl)nc(Nc2cccc(S(=O)(=O)O)c2)n1.[NaH].[NaH].[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CHAT P28329 2/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ FUT8 Q9BYC5 1/20 0.38
▸ ENPP2 Q13822 7/20 0.37
▸ PTPRC P08575 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ PTPRJ Q12913 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DUSP26 Q9BV47 1/20 0.35
▸ CA12 O43570 3/20 0.34
▸ CA2 P00918 3/20 0.34

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
SCHEMBL7536286 0.99 CARM1 (0.42) CARM1PRMT1ALDH1A1KMT2ACHAT
SCHEMBL7536280 0.86 PRMT1 (0.47) CARM1PRMT1ALDH1A1KMT2AALOX15
SCHEMBL13879888 0.81 ENPP2 (0.47) CARM1PRMT1ALDH1A1KMT2AFUT8
SCHEMBL17327060 0.74 ENPP2 (0.49) CARM1PRMT1ALDH1A1KMT2ACHAT
SCHEMBL11879794 0.74 CA12 (0.49) CARM1PRMT1CHATENPP3ENPP1
SCHEMBL13152017 0.72 ENPP2 (0.53) CARM1PRMT1ALDH1A1KMT2ACHAT
SCHEMBL15985961 0.72 ENPP2 (0.48) CARM1PRMT1ALDH1A1KMT2ACHAT
SCHEMBL10937783 0.72 NSD2 (0.41) PRMT1PTPN11CA12CA2CA9
SCHEMBL30371796 0.72 FUT8 (0.44) CARM1PRMT1ALDH1A1KMT2ACHAT
SCHEMBL12848322 0.71 CHAT (0.50) KMT2ACHATENPP3ENPP1FUT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002024816-A1 ROTAXANE DYES BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 — — WO disclosed
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