SCHEMBL11114157

SCHEMBL11114157

O=c1ccc(-c2ccc(Cc3ncc[nH]3)s2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.47
▸ PDE3A Q14432 2/20 0.47
▸ TAAR1 Q96RJ0 7/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GALR3 O60755 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 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
SCHEMBL11103008 0.75 TAAR1 (0.39) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL11100934 0.72 TAAR1 (0.37) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10968242 0.71 SMN1; SMN2 (0.38) PDE3BPDE3ATAAR1HTR1ACYP1A2
SCHEMBL10648317 0.70 CYP1A2 (0.39) PDE3BPDE3ACYP1A2KMT2AMEN1
SCHEMBL9522462 0.69 TAAR1 (0.47) TAAR1HTR1AADRA2AADRA2BADRA2C
SCHEMBL10650151 0.69 CYP1A2 (0.41) PDE3BPDE3ACYP1A2KMT2AMEN1
SCHEMBL10724402 0.69 TAAR1 (0.35) PDE3BPDE3ATAAR1HTR1APDE4A
SCHEMBL10651361 0.68 KMT2A (0.38) PDE3BPDE3ACYP1A2KMT2AMEN1
SCHEMBL10647923 0.68 CYP1A2 (0.38) PDE3BPDE3ACYP1A2KMT2AMEN1
SCHEMBL10645457 0.68 CYP11B1 (0.56) PDE3BPDE3ACYP1A2POLB

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-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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