SCHEMBL2575468

SCHEMBL2575468

COc1ccc(Cl)c(C(=O)NCC[As](O)C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.51
P2RY12 Q9H244 1/20 0.51
TYK2 P29597 1/20 0.48
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
OR51E2 Q9H255 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL2563050 0.78 P2RX7 (0.51) P2RX7P2RY12TYK2HPGDKMT2A
SCHEMBL31104526 0.73 P2RX7 (0.56) P2RX7P2RY12TYK2HPGDALDH1A1
SCHEMBL7984549 0.72 TYK2 (0.62) P2RX7P2RY12TYK2HPGDKMT2A
SCHEMBL14160488 0.70 P2RX7 (0.55) P2RX7P2RY12TYK2HPGDKMT2A
SCHEMBL9519109 0.70 NLRP3 (0.67) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL21668146 0.70 TYK2 (0.51) P2RX7P2RY12TYK2KMT2AALDH1A1
SCHEMBL30513967 0.70 TYK2 (0.51) P2RX7P2RY12TYK2KMT2AALDH1A1
SCHEMBL14160433 0.69 P2RX7 (0.64) P2RX7P2RY12TYK2HPGDKMT2A
SCHEMBL1180024 0.69 KDM4E (0.60) P2RX7P2RY12TYK2KMT2AALDH1A1
SCHEMBL7871675 0.68 LMNA (0.52) P2RX7P2RY12KMT2AALDH1A1SMN1; SMN2

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
EP-1399416-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-02 EP disclosed