SCHEMBL10724228

SCHEMBL10724228

O=C1CCC(c2ccc(Cc3ncc[nH]3)s2)=NN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TAAR1 Q96RJ0 3/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.35
▸ GAA P10253 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL10724402 0.83 TAAR1 (0.35) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL10727054 0.81 TAAR1 (0.36) TAAR1HTR1A
SCHEMBL10730636 0.79 TAAR1 (0.35) TAAR1PDE4BMEN1KMT2AALDH1A1
SCHEMBL10968242 0.74 SMN1; SMN2 (0.38) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL10724403 0.74 CYP11B1 (0.57) CA12CA1CA2CA9PDE4A
SCHEMBL9379481 0.73 SHMT2 (0.56) TAAR1GAAMAPTMEN1KMT2A
SCHEMBL11114157 0.66 PDE3B (0.47) TAAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL6014889 0.66 CA12 (0.71) CA12CA1CA2CA9PDE4A
SCHEMBL9378260 0.64 LOX (0.49) TAAR1ALDH1A1LMNAHTR1ALOX
SCHEMBL29394932 0.63 CA12 (0.68) CA12CA1CA2CA9PDE4A

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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