SCHEMBL10765553

SCHEMBL10765553

C#CCSc1ccccc1C=C(C)C1=NNC(=O)CC1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.37
▸ PDE3A Q14432 8/20 0.32
▸ PDE3B Q13370 6/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ PDE4B Q07343 3/20 0.31
▸ PDE5A O76074 2/20 0.31
▸ GPR119 Q8TDV5 4/20 0.31
▸ TNNC1 P63316 1/20 0.30

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
SCHEMBL10764068 0.84 PDE3B (0.33) PDE3APDE3BPBRM1BRD4CREBBP
SCHEMBL10762076 0.84 PBRM1 (0.36) PDE3APDE3BPBRM1BRD4CREBBP
SCHEMBL10760108 0.82 MAPT (0.35) PTGS2PDE3APDE3BPBRM1BRD4
SCHEMBL10766286 0.81 PDE3B (0.38) PDE3APDE3BPBRM1TNNC1
SCHEMBL10762902 0.80 PDE3A (0.43) PTGS2PDE3APDE3BPBRM1BRD4
SCHEMBL10765095 0.80 PDE3B (0.33) PDE3APDE3BPBRM1BRD4CREBBP
SCHEMBL10764370 0.80 PDE3B (0.34) PDE3APDE3BPBRM1BRD4CREBBP
SCHEMBL10763298 0.80 PDE3A (0.39) PTGS2PDE3APDE3BPBRM1BRD4
SCHEMBL10765719 0.79 PDE3A (0.38) PTGS2PDE3APDE3BPDE4BGPR119
SCHEMBL10763897 0.79 PDE3A (0.40) PTGS2PDE3APDE3BPDE4BGPR119

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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