SCHEMBL436591

SCHEMBL436591

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.47
GABRD O14764 3/20 0.47
GABRA1 P14867 3/20 0.47
GABRB1 P18505 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
GABRA4 P48169 3/20 0.47
GABRE P78334 3/20 0.47
GABRA6 Q16445 3/20 0.47
GABRG1 Q8N1C3 3/20 0.47
GABRG3 Q99928 3/20 0.47
GABRQ Q9UN88 3/20 0.47
HAVCR2 Q8TDQ0 1/20 0.47
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 2/20 0.43
DHODH Q02127 1/20 0.38

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) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL732403 0.84 DHODH (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL437001 0.82 NPC1 (0.55) KDM4EKMT2AMEN1
SCHEMBL436954 0.82 HAVCR2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL439044 0.79 HAVCR2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL435828 0.78 ACHE (0.39) KDM4EKMT2AHPGDPARP4
SCHEMBL436971 0.77 HAVCR2 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24532133 0.76 KDM4E (0.46) KDM4EKMT2ADHODHEPRS1MEN1
SCHEMBL29681293 0.76 KDM4E (0.46) KDM4EKMT2ADHODHEPRS1MEN1
SCHEMBL436434 0.76 HAVCR2 (0.68) 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 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