SCHEMBL438308

SCHEMBL438308

Cc1ccc2c(N)c(C(=O)O)cnc2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.57
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
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL439981 0.84 HAVCR2 (0.55) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL437260 0.84 HAVCR2 (0.67) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL9655373 0.84 DHODH (0.43) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL439469 0.83 KMT2A (0.67) KMT2AKDM4ENPC1RAB9AMEN1
SCHEMBL436434 0.83 HAVCR2 (0.68) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL7495933 0.83 HAVCR2 (0.46) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL438132 0.79 GABRP (0.49) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL436943 0.76 HAVCR2 (0.56) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL439785 0.76 HAVCR2 (0.68) HAVCR2GABRPGABRDGABRA1GABRB1
SCHEMBL437086 0.76 KDM4E (0.53) HAVCR2GABRPGABRDGABRA1GABRB1

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