SCHEMBL17545205

SCHEMBL17545205

CC(N)c1cc(C(=O)O)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
KDM4C Q9H3R0 10/20 0.53
KDM5C P41229 7/20 0.53
KDM4A O75164 7/20 0.53
KDM5B Q9UGL1 6/20 0.53

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
SCHEMBL1759894 0.87 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25933765 0.85 KDM4C (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25709497 0.84 KDM4C (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6918592 0.83 KDM4E (0.58) KDM4CKDM5CKDM5BKDM2AKDM3A
SCHEMBL23583774 0.81 KDM4C (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3458733 0.81 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26910686 0.81 KDM4C (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25342268 0.81 KDM4C (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4863526 0.80 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19439129 0.80 KDM4C (0.54) 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-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 EP disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 WO disclosed