SCHEMBL9615731

SCHEMBL9615731

CCn1c(-c2ccc(OC)c(OC)c2)c/c(=N/c2c(C)cc(C(=O)O)cc2C)n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ ABCC5 O15440 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL9615732 1.00 TSHR (0.41) TSHRTDP1MAPK1MAPTSMN1; SMN2
SCHEMBL9834667 0.89 PDE4B (0.52) TSHRTDP1MAPK1MAPTSMN1; SMN2
SCHEMBL9834662 0.89 PDE4B (0.52) TSHRTDP1MAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL10569609 0.88 TDP1 (0.52) TSHRTDP1MAPK1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL10569610 0.88 TDP1 (0.52) TSHRTDP1MAPK1MAPTSMN1; SMN2
SCHEMBL10725789 0.83 MAPT (0.48) TSHRTDP1MAPK1MAPTSMN1; SMN2
SCHEMBL10725781 0.83 MAPT (0.48) TSHRTDP1MAPK1MAPTSMN1; SMN2
SCHEMBL10566644 0.82 PDE4B (0.51) TSHRTDP1MAPK1MAPTSMN1; SMN2
SCHEMBL10566643 0.82 PDE4B (0.51) TSHRTDP1MAPK1MAPTSMN1; SMN2
SCHEMBL10726287 0.81 MAPT (0.46) TSHRTDP1MAPK1MAPTSMN1; SMN2

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
JP-4159266-A — — None — — JP disclosed
JP-H04159266-A PYRIMIDINONE DERIVATIVE FUJISAWA PHARMACEUT CO LTD 1992-06-02 — — JP disclosed
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