SCHEMBL10760108

SCHEMBL10760108

C#CCOc1ccccc1C=C(C)C1=NNC(=O)CC1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PDE3A Q14432 6/20 0.33
▸ PDE3B Q13370 5/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ HPGD P15428 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
SCHEMBL10764444 0.84 HSD17B10 (0.40) MAPTSMN1; SMN2GPR119PDE3APDE3B
SCHEMBL10765553 0.82 PTGS2 (0.37) GPR119PDE3APDE3BPDE4BPTGS2
SCHEMBL10761023 0.81 MAOB (0.44) MAPTSMN1; SMN2PDE3APDE3BPTGS2
SCHEMBL10764678 0.80 PDE3B (0.43) MAPTSMN1; SMN2GPR119CA12CA2
SCHEMBL10762324 0.80 MAOB (0.43) GPR119CA12CA2CA9PDE3A
SCHEMBL10764370 0.80 PDE3B (0.34) MAPTSMN1; SMN2GPR119PDE3APDE3B
SCHEMBL10767881 0.80 MAPT (0.39) MAPTSMN1; SMN2GPR119PDE3APDE3B
SCHEMBL10762076 0.75 PBRM1 (0.36) MAPTSMN1; SMN2GPR119PDE3APDE3B
SCHEMBL10763440 0.74 PDE3A (0.40) MAPTSMN1; SMN2GPR119PDE3APDE3B
SCHEMBL10762863 0.74 BRD4 (0.41) MAPTSMN1; SMN2GPR119PDE3APDE3B

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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