SCHEMBL10648091

SCHEMBL10648091

O=c1ccc(-c2cc(Cn3ccnc3)cs2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ CYP11B1 P15538 13/20 0.43
▸ CYP11B2 P19099 12/20 0.43
▸ CYP19A1 P11511 6/20 0.41
▸ TBXAS1 P24557 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ QPCT Q16769 1/20 0.40
▸ CYP4Z1 Q86W10 1/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40

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
SCHEMBL10645457 0.79 CYP11B1 (0.56) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL7280421 0.79 PDE3B (0.61) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL10648115 0.77 LMNA (0.39) PDE3BPDE3APOLBMAPT
SCHEMBL10650257 0.77 PDE3B (0.62) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL11115116 0.72 PDE3B (0.44) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL10648332 0.71 ACHE (0.39) CYP11B1CYP11B2CYP19A1TBXAS1CYP3A4
SCHEMBL10651613 0.71 PDE3B (0.43) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL10650258 0.71 PDE3B (0.44) PDE3BPDE3ACYP11B1CYP11B2CYP19A1
SCHEMBL10652461 0.70 CYP19A1 (0.36) CYP11B1CYP11B2CYP19A1TBXAS1POLB
SCHEMBL10649218 0.70 TBXAS1 (0.42) PDE3BPDE3ACYP11B1CYP11B2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 — — EP disclosed
EP-0128502-A1 Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-12-19 — — EP disclosed
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