SCHEMBL436954

SCHEMBL436954

Cc1cc(Cl)cc2c(N)c(C(=O)O)cnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.54
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 2/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL437086 0.85 KDM4E (0.53) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL438978 0.85 HAVCR2 (0.64) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL5025887 0.84 GABRP (0.41) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL441793 0.82 TP53 (0.56) KDM4EKMT2ATP53MAPTPOLB
SCHEMBL436591 0.82 GABRP (0.47) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL436971 0.79 HAVCR2 (0.61) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL439580 0.78 BCHE (0.40) KDM4EKMT2ASLC2A1TP53CYP3A4
SCHEMBL436434 0.76 HAVCR2 (0.68) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL441685 0.75 ACHE (0.35) KDM4EKMT2ASLC2A1TP53CYP3A4
SCHEMBL10202031 0.75 TP53 (0.41) KDM4EKMT2ASLC2A1TP53MAPT

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