SCHEMBL11425330

SCHEMBL11425330

CNc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ RECQL P46063 2/20 0.58
▸ CASP6 P55212 2/20 0.58
▸ APEX1 P27695 2/20 0.58
▸ NSD2 O96028 1/20 0.58
▸ APOBEC3A P31941 1/20 0.58
▸ APOBEC3G Q9HC16 1/20 0.58
▸ GNG2 P59768 5/20 0.56
▸ GNB1 P62873 5/20 0.56
▸ P2RY12 Q9H244 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ ALOX15 P16050 2/20 0.54

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
SCHEMBL9172504 0.86 GNG2 (0.51) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL9334941 0.85 GNG2 (0.50) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL1592210 0.85 GNG2 (0.76) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL18867033 0.84 P2RY12 (0.61) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL29678418 0.80 P2RY4 (0.52) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL344329 0.80 P2RY4 (0.52) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL11695995 0.79 GNG2 (0.45) ALDH1A1MAPTTDP1L3MBTL1GNG2
SCHEMBL343355 0.79 RAPGEF4 (0.65) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL462731 0.79 P2RY4 (0.51) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL462730 0.79 P2RY4 (0.51) ALDH1A1MAPTTDP1L3MBTL1KDM4E

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
US-4242259-A TRIAZINE DYES, COTTON BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
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