SCHEMBL10764454

SCHEMBL10764454

CC1CC(=O)NN=C1C=Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.54
▸ PDE3A Q14432 5/20 0.54
▸ MAOB P27338 3/20 0.51
▸ NFE2L2 Q16236 7/20 0.46
▸ PTGS1 P23219 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ MAOA P21397 1/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL10764318 0.85 PDE3B (0.57) PDE3BPDE3AMAOBPTGS1PTGS2
SCHEMBL10765618 0.85 PDE3B (0.54) PDE3BPDE3AMAOBPTGS1PTGS2
SCHEMBL10764414 0.85 PDE3B (0.54) PDE3BPDE3AMAOBPTGS1PTGS2
SCHEMBL10763204 0.84 PDE3B (0.51) PDE3BPDE3AMAOBNFE2L2PTGS1
SCHEMBL10761216 0.84 PDE3B (0.65) PDE3BPDE3AMAOBNFE2L2
SCHEMBL10766164 0.82 PDE3B (0.52) PDE3BPDE3AMAOBPTGS1PTGS2
SCHEMBL10767320 0.81 CREBBP (0.53) PDE3BPDE3AMAOBPTGS1PTGS2
SCHEMBL10763316 0.81 PDE3B (0.50) PDE3BPDE3AMAOBPTGS1PTGS2
SCHEMBL10762047 0.79 RELA (0.56) PDE3BPDE3ANFE2L2APPRELA
SCHEMBL10761951 0.77 NPC1 (0.48) PDE3BPDE3APTGS1PTGS2

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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