SCHEMBL13839141

SCHEMBL13839141

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3ccccc3)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.49
▸ PRMT3 O60678 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ FUT8 Q9BYC5 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CASR P41180 1/20 0.35

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
SCHEMBL13839142 0.91 ENPP2 (0.60) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL14372037 0.84 ENPP2 (0.40) ENPP2PRMT1APEX1CA2CA3
SCHEMBL14259378 0.83 ENPP2 (0.36) ENPP2PRMT1APEX1CA2CA3
SCHEMBL6125968 0.83 PHLPP2 (0.49) ENPP2PRMT1HTTPOLBCYP2D6
SCHEMBL12954923 0.83 ENPP2 (0.68) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL10050360 0.83 ENPP2 (0.68) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL13252200 0.83 PRMT1 (0.52) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL14488860 0.82 ENPP2 (0.41) ENPP2PRMT1APEX1CA2CA3
SCHEMBL13599552 0.82 ENPP2 (0.46) ENPP2PRMT3EP300PRMT6PRMT1
SCHEMBL10620197 0.82 ENPP2 (0.67) ENPP2PRMT3EP300PRMT6PRMT1

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-7537651-B2 Ink composition having azo-based colorant and ink set using the same SAMSUNG ELECTRONICS CO., LTD (KR) 2009-05-26 — — US disclosed
US-20080092770-A1 INK COMPOSITION HAVING AZO-BASED COLORANT AND INK SET USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-24 — — US disclosed
Send feedback