SCHEMBL18493688

SCHEMBL18493688

C=C(Br)C(=O)Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.60
▸ GNB1 P62873 5/20 0.60
▸ PHLPP2 Q6ZVD8 2/20 0.60
▸ HPGDS O60760 1/20 0.56
▸ CHAT P28329 4/20 0.54
▸ USP2 O75604 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ P2RY4 P51582 4/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ ENPP3 O14638 1/20 0.52
▸ ENPP1 P22413 1/20 0.52

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
SCHEMBL12172884 0.99 GNG2 (0.61) GNG2GNB1PHLPP2HPGDSCHAT
SCHEMBL1592192 0.89 PHLPP2 (0.67) GNG2GNB1PHLPP2HPGDSCHAT
SCHEMBL15901552 0.88 P2RY12 (0.67) P2RY4P2RY12P2RY2ENTPD1P2RY6
SCHEMBL29462119 0.88 P2RY12 (0.67) P2RY4P2RY12P2RY2ENTPD1P2RY6
SCHEMBL11781902 0.84 PHLPP2 (0.65) GNG2GNB1PHLPP2HPGDSCHAT
SCHEMBL1592676 0.84 PHLPP2 (0.62) GNG2GNB1PHLPP2HPGDSCHAT
SCHEMBL11321111 0.84 GNG2 (0.81) GNG2GNB1PHLPP2HPGDSCHAT
SCHEMBL8972954 0.83 PHLPP2 (0.63) GNG2GNB1PHLPP2HPGDSCHAT
SCHEMBL3019527 0.81 GNG2 (0.77) GNG2GNB1PHLPP2HPGDSCHAT
SCHEMBL12189943 0.80 GNG2 (0.55) GNG2GNB1PHLPP2HPGDSP2RY4

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-9708761-B2 Array for processing materials XYLECO, INC. (US) 2017-07-18 — — US disclosed
US-20170044713-A1 ARRAY FOR PROCESSING MATERIALS XYLECO, INC. 2017-02-16 — — US disclosed
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