SCHEMBL437086

SCHEMBL437086

Cc1cc(C)c2ncc(C(=O)O)c(N)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
HAVCR2 Q8TDQ0 1/20 0.49
KMT2A Q03164 5/20 0.45
POLB P06746 4/20 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
SCHEMBL436954 0.85 HAVCR2 (0.54) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL436591 0.85 GABRP (0.47) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL436971 0.85 HAVCR2 (0.61) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL439044 0.85 HAVCR2 (0.47) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL439457 0.81 NPC1 (0.57) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL7494095 0.81 SLC2A1 (0.50) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL436434 0.78 HAVCR2 (0.68) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL438308 0.76 HAVCR2 (0.57) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL438922 0.75 KDM4E (0.53) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL436603 0.75 KDM4E (0.48) KDM4EGABRPGABRDGABRA1GABRB1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed