SCHEMBL30744879

SCHEMBL30744879

Cc1cc(C(=O)O)nc2c(F)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
GRM2 Q14416 2/20 0.50
AURKA O14965 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GPR35 Q9HC97 2/20 0.43
ALOX15 P16050 2/20 0.41
PRNP P04156 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
TSHR P16473 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
IGFBP3 P17936 1/20 0.39
TACR3 P29371 1/20 0.38
KMT2A Q03164 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
SCHEMBL6080102 0.83 KDM4E (0.56) KDM4ETDP1MAPTRAB9AALDH1A1
SCHEMBL3333164 0.83 GRM2 (0.48) KDM4ETDP1MAPTRAB9AGRM2
SCHEMBL13977964 0.83 AURKA (0.59) KDM4ETDP1RAB9AGRM2AURKA
SCHEMBL28913989 0.81 CYP1A2 (0.53) KDM4EMAPTRAB9AGRM2ALDH1A1
SCHEMBL13857985 0.81 AURKA (0.51) KDM4ETDP1GRM2AURKAGPR35
SCHEMBL8114876 0.81 GPR35 (0.54) KDM4ETDP1MAPTGRM2AURKA
SCHEMBL30421043 0.81 ALOX15 (0.62) KDM4ERAB9AGRM2AURKAALDH1A1
SCHEMBL14919681 0.80 GRM2 (0.78) GRM2AURKAIGFBP3
SCHEMBL30744928 0.80 GRM2 (0.43) KDM4EGRM2AURKAALOX15ADORA2A
SCHEMBL6596151 0.79 GPR35 (0.56) KDM4ETDP1MAPTRAB9AALDH1A1

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