SCHEMBL10724403

SCHEMBL10724403

O=C1CCC(c2ccc(Cn3ccnc3)s2)=NN1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.57
▸ CYP11B2 P19099 7/20 0.57
▸ TBXAS1 P24557 6/20 0.39
▸ CYP19A1 P11511 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ QPCT Q16769 1/20 0.39
▸ CYP4Z1 Q86W10 1/20 0.39
▸ QPCTL Q9NXS2 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 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
SCHEMBL10724389 0.82 CYP11B1 (0.52) CYP11B1CYP11B2TBXAS1CYP19A1MAPT
SCHEMBL10727048 0.81 CYP11B1 (0.50) CYP11B1CYP11B2TBXAS1CYP19A1MAPT
SCHEMBL10730627 0.79 CYP11B1 (0.48) CYP11B1CYP11B2TBXAS1CYP19A1MAPT
SCHEMBL10646110 0.74 CYP11B1 (0.53) CYP11B1CYP11B2TBXAS1CYP19A1CYP1A2
SCHEMBL10724228 0.74 CA12 (0.39) MAPTCYP1A2CYP3A4CYP2D6PDE4A
SCHEMBL9379475 0.72 SHMT2 (0.57) CYP11B1CYP11B2TBXAS1CYP19A1MAPT
SCHEMBL11097452 0.71 CYP11B1 (0.55) CYP11B1CYP11B2TBXAS1CYP19A1MAPT
SCHEMBL13907297 0.69 CYP11B1 (0.68) CYP11B1CYP11B2TBXAS1CYP19A1MAPT
SCHEMBL6014889 0.66 CA12 (0.71) MAPTCYP1A2POLBCYP3A4CYP2D6
SCHEMBL10645457 0.65 CYP11B1 (0.56) CYP11B1CYP11B2TBXAS1CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112987-B1 IMIDAZOLYLALKYLTHIENYL-TETRAHYDROPYRIDAZINES AND PROCESS FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1987-04-01 — — EP claimed
EP-0112987-A1 Imidazolylalkylthienyl-tetrahydropyridazines and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-07-11 — — EP claimed
EP-0112987-B1 IMIDAZOLYLALKYLTHIENYL-TETRAHYDROPYRIDAZINES AND PROCESS FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1987-04-01 — — EP disclosed
US-4643998-A Imidazolylalkylthienyl tetrahydropyridazines and processes for their use A. NATTERMAN & CIE GMBH (DE) 1987-02-17 — — US disclosed
EP-0112987-A1 Imidazolylalkylthienyl-tetrahydropyridazines and process for their preparation A. Nattermann & Cie. GmbH (DE) 1984-07-11 — — EP disclosed
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