SCHEMBL10731467

SCHEMBL10731467

COc1ccc(-c2cc(=S)n(C)c(=O)n2C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBA3C P0DPH7 2/20 0.41
▸ TUBA1B P68363 2/20 0.41
▸ TUBA4A P68366 2/20 0.41
▸ TUBB4B P68371 2/20 0.41
▸ TUBB3 Q13509 2/20 0.41
▸ TUBB2A Q13885 2/20 0.41
▸ TUBB8 Q3ZCM7 2/20 0.41
▸ TUBA3E Q6PEY2 2/20 0.41
▸ TUBA1A Q71U36 2/20 0.41
▸ TUBA1C Q9BQE3 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
SCHEMBL10725957 0.87 PDGFRB (0.45) PDGFRBPDGFRAALDH1A1MAPTNPC1
SCHEMBL10567603 0.83 KDM4E (0.42) ALDH1A1MAPTNPC1TDP1KMT2A
SCHEMBL10725227 0.79 MAPK1 (0.48) PDGFRBPDGFRAALDH1A1MAPTNPC1
SCHEMBL10725223 0.79 MAPK1 (0.48) PDGFRBPDGFRAALDH1A1MAPTNPC1
SCHEMBL10364534 0.77 S100B (0.36) ALDH1A1MAPTHTTLMNA
SCHEMBL10567037 0.74 ALDH1A1 (0.43) ALDH1A1MAPTHTTSMN1; SMN2TDP1
SCHEMBL10562633 0.73 L3MBTL1 (0.40) ALDH1A1HTTSMN1; SMN2TUBB4ATUBB
SCHEMBL10568135 0.69 CYP19A1 (0.40) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL7562427 0.69 ALDH1A1 (0.61) PDGFRBPDGFRAALDH1A1MAPTNPC1
SCHEMBL12312144 0.69 PDGFRB (0.57) PDGFRBPDGFRAALDH1A1MAPTNPC1

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
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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