SCHEMBL10648317

SCHEMBL10648317

O=c1ccc(-c2ccc(Cn3cnnc3)s2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ POLB P06746 4/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GALR3 O60755 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
SCHEMBL10645457 0.85 CYP11B1 (0.56) CYP1A2POLBCYP11B1CYP11B2PDE3B
SCHEMBL10647923 0.77 CYP1A2 (0.38) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL10649218 0.72 TBXAS1 (0.42) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL10650493 0.72 HRH3 (0.50) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL13464837 0.71 KMT2A (0.55) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL11114157 0.70 PDE3B (0.47) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL1456606 0.67 CYP1A2 (0.67) CYP1A2KMT2AMEN1POLBLMNA
SCHEMBL10651151 0.66 PDE3B (0.37) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL26672753 0.65 KMT2A (0.50) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL10648091 0.64 PDE3B (0.43) CYP1A2POLBCYP11B1CYP11B2PDE3B

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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