SCHEMBL3458733

SCHEMBL3458733

N[C@H](C(=O)Cl)c1cc(C(=O)O)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRA6 Q16445 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51
KDM4C Q9H3R0 8/20 0.49
KDM5C P41229 6/20 0.49
KDM2A Q9Y2K7 5/20 0.49
KDM3A Q9Y4C1 5/20 0.49

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
SCHEMBL17545205 0.81 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23583774 0.77 KDM4C (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1244717 0.76 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29453118 0.75 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1759894 0.75 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7704763 0.75 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25933765 0.74 KDM4C (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25937937 0.73 KDM4C (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31133240 0.73 KDM4C (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28976353 0.72 KDM4C (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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
EP-2231662-A1 8-ANILIN0IMIDAZ0PYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS Genentech, Inc. (US) 2010-09-29 EP disclosed
WO-2009085980-A1 8-ANILIN0IMIDAZ0PYRIDINES AND THEIR USE AS ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS GENENTECH, INC. (US) 2009-07-09 WO disclosed