SCHEMBL11080295

SCHEMBL11080295

CC1=C(c2ccncc2)C(C)CC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.38
▸ PDE3B Q13370 7/20 0.38
▸ PDE3A Q14432 7/20 0.38
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ BUB1 O43683 1/20 0.34
▸ CRBN Q96SW2 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34

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
SCHEMBL10765501 0.79 PDE3B (0.62) PDE3BPDE3ATSHRKMT2ACRBN
Hydrochloric Acid SCHEMBL10762593 0.78 PDE3B (0.61) PDE3BPDE3ATSHRKMT2ACRBN
SCHEMBL10757838 0.76 PDE3B (0.52) PDE3BPDE3AGAACYP19A1
SCHEMBL11089259 0.73 PDE3B (0.41) CDC7PDE3BPDE3AGAATSHR
SCHEMBL11080028 0.71 PDE3B (0.44) CDC7PDE3BPDE3AGAACYP19A1
SCHEMBL11079732 0.68 PDE3B (0.49) CDC7PDE3BPDE3ACYP19A1CRBN
SCHEMBL10363627 0.68 PDE3B (0.42) PDE3BPDE3ATSHRBRD4CREBBP
SCHEMBL10365546 0.67 PDE3B (0.44) PDE3BPDE3ATSHRBRD4CREBBP
SCHEMBL10367244 0.66 PDE3B (0.51) PDE3BPDE3AGAAKMT2AMAPT
Ethane SCHEMBL10775108 0.65 PDE3B (0.50) PDE3BPDE3AGAAKMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431651-A 2-Pyridinones and their use as cardiotonic agents STERLING DRUG INC. (US) 1984-02-14 — — US claimed
EP-0109628-A1 2(1H)-pyridinones and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1984-05-30 — — EP disclosed
US-4431651-A 2-Pyridinones and their use as cardiotonic agents STERLING DRUG INC. (US) 1984-02-14 — — US disclosed
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