SCHEMBL16564595

SCHEMBL16564595

CCc1cc2c(c(O)c(C(=O)O)n2C)c(=O)n1-c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 3/20 0.36
▸ TSHR P16473 1/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE7B Q9NP56 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ GRIA2 P42262 2/20 0.33
▸ GRIA4 P48058 2/20 0.33
▸ NPEPPS P55786 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL10003685 0.87 ALDH1A1 (0.40) TSHRALOX15
SCHEMBL10003906 0.81 SMO (0.48) PDE7ATSHRMAPK14GRIA2GRIA4
SCHEMBL3426735 0.76 SMO (0.49) —
SCHEMBL3425428 0.75 FEN1 (0.42) ALOX15
SCHEMBL10004152 0.73 SMO (0.47) —
SCHEMBL10003684 0.72 MAPT (0.44) ALOX15
SCHEMBL10314590 0.72 SMN1; SMN2 (0.48) TSHRGRIA2GRIA4
SCHEMBL10004543 0.72 ALDH1A1 (0.57) ALOX15
SCHEMBL10003782 0.70 MAPT (0.43) —
SCHEMBL3430411 0.70 SMO (0.42) —

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
EP-2471790-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-18 — — EP disclosed
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