SCHEMBL11096605

SCHEMBL11096605

Cc1cc(SC(C)C)nnc1-c1ccc(-n2ccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ ADH5 P11766 8/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38

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
SCHEMBL11096275 0.86 PDE3B (0.55) PDE3BPDE3AADH5MEN1ALOX15
SCHEMBL11101037 0.83 PDE3B (0.52) PDE3BPDE3AADH5MEN1ALOX15
SCHEMBL11099862 0.81 PDE3B (0.50) PDE3BPDE3AADH5MEN1ALOX15
SCHEMBL11100354 0.79 PDE3B (0.48) PDE3BPDE3AADH5MEN1ALOX15
SCHEMBL11101040 0.78 PDE3B (0.57) PDE3BPDE3AADH5MEN1ALOX15
SCHEMBL7290528 0.68 PDE3B (1.00) PDE3BPDE3AADH5MEN1ALOX15
SCHEMBL2533488 0.68 TSHR (0.84) PDE3BPDE3AADH5MEN1ALOX15
SCHEMBL19186987 0.67 KMT2A (0.70) PDE3BPDE3AADH5MEN1ALOX15
SCHEMBL2532397 0.66 LMNA (0.78) ADH5MEN1ALOX15TSHRKMT2A
SCHEMBL11097731 0.66 NPC1 (0.50) PDE3BPDE3AADH5MEN1ALOX15

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-0122419-A2 Substituted 3-mercaptopyridazines, their 3-alkylthio derivatives and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-10-24 — — EP disclosed
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