SCHEMBL11101037

SCHEMBL11101037

CCSc1cc(C)c(-c2ccc(-n3ccnc3)cc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ ADH5 P11766 9/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39

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
SCHEMBL11099862 0.91 PDE3B (0.50) PDE3BPDE3AADH5MEN1KMT2A
SCHEMBL11100354 0.89 PDE3B (0.48) PDE3BPDE3AADH5MEN1KMT2A
SCHEMBL11096275 0.86 PDE3B (0.55) PDE3BPDE3AADH5MEN1KMT2A
SCHEMBL11096605 0.83 PDE3B (0.52) PDE3BPDE3AADH5MEN1KMT2A
SCHEMBL11101040 0.78 PDE3B (0.57) PDE3BPDE3AADH5MEN1KMT2A
SCHEMBL7290528 0.68 PDE3B (1.00) PDE3BPDE3AADH5MEN1KMT2A
SCHEMBL2533488 0.68 TSHR (0.84) PDE3BPDE3AADH5MEN1KMT2A
SCHEMBL11101097 0.68 CYP3A4 (0.34) PDE3BPDE3ACYP1A2CYP3A4CYP2D6
SCHEMBL19186987 0.67 KMT2A (0.70) PDE3BPDE3AADH5MEN1KMT2A
SCHEMBL2532397 0.66 LMNA (0.78) ADH5MEN1KMT2AALOX15TSHR

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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