SCHEMBL10764068

SCHEMBL10764068

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.33
▸ PDE3A Q14432 6/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ TSHR P16473 4/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ GPR119 Q8TDV5 3/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10762076 0.85 PBRM1 (0.36) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10765553 0.84 PTGS2 (0.37) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10761515 0.81 PDE3B (0.38) PDE3BPDE3APBRM1ALDH1A1GAA
SCHEMBL10763296 0.80 PDE3A (0.43) PDE3BPDE3APBRM1ALDH1A1TSHR
SCHEMBL10766176 0.80 PDE3B (0.34) PDE3BPDE3APBRM1ALDH1A1BRD4
SCHEMBL10764444 0.79 HSD17B10 (0.40) PDE3BPDE3AALDH1A1TSHRMAPK1
SCHEMBL10767519 0.79 PDE3A (0.39) PDE3BPDE3AALDH1A1TSHRMAPK1
SCHEMBL10764583 0.79 PDE3A (0.41) PDE3BPDE3AALDH1A1TSHRMAPK1
SCHEMBL10765377 0.78 PDE3B (0.32) PDE3BPDE3APBRM1ALDH1A1BRD4
SCHEMBL10763554 0.78 KDM4E (0.33) PDE3BPDE3APBRM1ALDH1A1BRD4

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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