SCHEMBL10765698

SCHEMBL10765698

COc1ccc(C(C)=CC2=NNC(=O)CC2C)c(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 12/20 0.39
▸ PDE3B Q13370 11/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PDE4B Q07343 3/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ MAPT P10636 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ ACHE P22303 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ RAB9A P51151 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
SCHEMBL10763918 0.92 PDE3A (0.39) PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10763829 0.82 PDE3B (0.39) PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10764842 0.82 PDE3A (0.43) PDE3APDE3BSMN1; SMN2PDE4BMAPT
SCHEMBL10764057 0.82 PDE3A (0.41) PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10769221 0.82 PDE3A (0.38) PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10763727 0.81 PDE3A (0.39) PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10762052 0.81 PDE3B (0.42) PDE3APDE3BSMN1; SMN2ALDH1A1PDE4B
SCHEMBL10761938 0.80 PDE3A (0.39) PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10763860 0.80 PDE3B (0.44) PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1
SCHEMBL10767590 0.80 PDE3A (0.38) PDE3APDE3BKDM4ESMN1; SMN2ALDH1A1

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-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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