SCHEMBL6873117

SCHEMBL6873117

Bc1cnc(C(=O)O)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.37
KDM4E B2RXH2 4/20 0.34
P4HTM Q9NXG6 3/20 0.34
NAPRT Q6XQN6 3/20 0.34
P4HA1 P13674 2/20 0.34
MIF P14174 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL3705899 0.76 ALDH1A1 (0.54) HCAR2KDM4EP4HTMNAPRTP4HA1
SCHEMBL24787182 0.76 CA12 (0.36) HCAR2KDM4EP4HTMNAPRTP4HA1
SCHEMBL10328694 0.74 HCAR2 (0.41) HCAR2KDM4EP4HTMNAPRTP4HA1
SCHEMBL361106 0.74 KDM4E (0.52) HCAR2KDM4EP4HTMNAPRTP4HA1
SCHEMBL286703 0.74 HCAR2 (0.41) HCAR2KDM4EP4HTMNAPRTP4HA1
SCHEMBL20929049 0.74 HCAR2 (0.34) HCAR2KDM4EP4HTMNAPRTP4HA1
SCHEMBL3695695 0.74 GABRP (0.41) HCAR2KDM4EP4HTMNAPRTP4HA1
SCHEMBL9852803 0.74 APLNR (0.45) HCAR2KDM4EALDH1A1HSD17B10ALOX15
SCHEMBL18520707 0.74 TPMT (0.39) HCAR2KDM4EP4HTMNAPRTP4HA1
SCHEMBL30526873 0.72 NPC1 (0.43) KDM4EP4HTMP4HA1ALDH1A1HSD17B10

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
WO-2011091410-A1 TRPV4 ANTAGONISTS GLAXOS SMITHKLINE LLC (US) 2011-07-28 WO disclosed