SCHEMBL30744928

SCHEMBL30744928

CCCc1cc(C(=O)O)nc2c(F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
KDM4E B2RXH2 1/20 0.42
AURKA O14965 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
PPARG P37231 1/20 0.38
IGFBP5 P24593 1/20 0.38
ALOX15 P16050 1/20 0.38
P2RX3 P56373 1/20 0.37
TACR3 P29371 1/20 0.37
IGFBP3 P17936 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL30744879 0.80 KDM4E (0.51) GRM2KDM4EAURKAADORA2AADORA1
SCHEMBL30744751 0.79 KDM4E (0.59) KDM4EIGFBP5ALOX15IGFBP3
SCHEMBL30744853 0.78 ADORA2A (0.46) GRM2KDM4EAURKAADORA2AADORA1
SCHEMBL3333164 0.78 GRM2 (0.48) GRM2KDM4EAURKAADORA2AADORA1
SCHEMBL13977964 0.78 AURKA (0.59) GRM2KDM4EAURKAADORA2AADORA1
SCHEMBL8114876 0.77 GPR35 (0.54) GRM2KDM4EAURKAADORA2AADORA1
SCHEMBL13857985 0.77 AURKA (0.51) GRM2KDM4EAURKAADORA2AADORA1
SCHEMBL30421043 0.76 ALOX15 (0.62) GRM2KDM4EAURKAADORA2AADORA1
SCHEMBL17583090 0.75 GRM2 (0.46) GRM2ADORA2AADORA1ALOX15TACR3
SCHEMBL6080305 0.75 BID (0.56) KDM4EHCAR2PPARGALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed