SCHEMBL10366983

SCHEMBL10366983

COc1ccc(-c2cc(=Nc3c(C)cc(C)cc3C)n(C)c(=O)n2C)cc1SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ PDE4A P27815 2/20 0.49
▸ PDE4B Q07343 2/20 0.49
▸ PDE4C Q08493 2/20 0.49
▸ PDE4D Q08499 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ ABCC5 O15440 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ HTT P42858 2/20 0.48

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
SCHEMBL10366982 1.00 TSHR (0.49) TSHRMAPK1CYP3A4TDP1PDE4A
SCHEMBL10364565 0.88 MAPT (0.56) TSHRMAPK1CYP3A4TDP1PDE4A
SCHEMBL10364563 0.88 MAPT (0.56) TSHRMAPK1CYP3A4TDP1PDE4A
Hydrochloric Acid SCHEMBL10568441 0.87 TSHR (0.57) TSHRMAPK1CYP3A4TDP1PDE4A
Hydrochloric Acid SCHEMBL10568449 0.87 TSHR (0.57) TSHRMAPK1CYP3A4TDP1PDE4A
SCHEMBL10730409 0.85 CYP3A4 (0.51) TSHRMAPK1CYP3A4TDP1PDE4A
SCHEMBL10730404 0.85 CYP3A4 (0.51) TSHRMAPK1CYP3A4TDP1PDE4A
SCHEMBL10364517 0.83 TSHR (0.49) TSHRMAPK1CYP3A4TDP1PDE4A
SCHEMBL10364615 0.83 TSHR (0.49) TSHRMAPK1CYP3A4TDP1PDE4A
SCHEMBL10365156 0.83 MAPT (0.51) TSHRMAPK1CYP3A4TDP1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166564-B1 PYRIMIDONE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-01-31 — — EP disclosed
US-4649142-A 3,4-dihydro-1,3-disubstituted-6-(substituted phenylimino)-2(1H)-pyrimidinone useful as cardiotonic agent and anti-allergic agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 — — US disclosed
EP-0166564-A2 Pyrimidone derivatives, preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 — — EP disclosed
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