SCHEMBL30697456

SCHEMBL30697456

O=C(O)c1cccc2cnn(Cc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.51
PTGER4 P35408 4/20 0.43
PTGDR Q13258 2/20 0.43
TBXA2R P21731 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGFR P43088 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
DRD4 P21917 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPBWR1 P48145 1/20 0.40
CCR9 P51686 1/20 0.40
P2RY14 Q15391 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40

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
SCHEMBL20541783 1.00 FABP4 (0.51) FABP4PTGER4PTGDRTBXA2RPTGER1
SCHEMBL28448801 0.86 RECQL (0.54) FABP4ALDH1A1POLBRECQL
SCHEMBL20542067 0.85 PPARD (0.44) PTGER4SMN1; SMN2ALDH1A1NPBWR1RECQL
SCHEMBL30697464 0.85 PPARD (0.44) PTGER4SMN1; SMN2ALDH1A1NPBWR1RECQL
SCHEMBL12900334 0.85 TSHR (0.49) FABP4SMN1; SMN2ALDH1A1MAPTRECQL
SCHEMBL21506587 0.84 RECQL (0.42) FABP4ALDH1A1DRD4RECQL
SCHEMBL20541605 0.84 EGLN1 (0.49) FABP4ALDH1A1NPBWR1RECQL
SCHEMBL26603232 0.84 FABP4 (0.48) FABP4PTGER4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL22894717 0.83 DRD4 (0.41) FABP4PTGER4PTGDRTBXA2RPTGER1
SCHEMBL26432665 0.81 DRD4 (0.57) DRD4

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
CN-110891935-B Bicyclic compounds and their use in cancer treatment 泰普斯特医疗公司 2023-12-01 CN disclosed