SCHEMBL10650872

SCHEMBL10650872

CCc1ncn(-c2ccc(-c3ccc(=O)[nH]n3)s2)c1CC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 5/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GALR3 O60755 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
SCHEMBL7280364 0.78 PDE3B (0.48) KMT2AMEN1CYP1A2LMNAMAPT
SCHEMBL10651151 0.67 PDE3B (0.37) KMT2AMEN1CYP1A2POLBLMNA
SCHEMBL10648271 0.67 PDE3A (0.59) KMT2AMEN1CYP1A2POLBLMNA
SCHEMBL13464837 0.67 KMT2A (0.55) KMT2AMEN1CYP1A2POLBTDP1
SCHEMBL10648447 0.64 CYP1A2 (0.41) KMT2AMEN1CYP1A2POLBTDP1
SCHEMBL10648317 0.64 CYP1A2 (0.39) KMT2AMEN1CYP1A2POLBLMNA
SCHEMBL10651361 0.60 KMT2A (0.38) KMT2AMEN1CYP1A2POLBLMNA
SCHEMBL10650151 0.60 CYP1A2 (0.41) KMT2AMEN1CYP1A2POLBLMNA
SCHEMBL1456606 0.60 CYP1A2 (0.67) KMT2AMEN1CYP1A2POLBTDP1
SCHEMBL10645457 0.59 CYP11B1 (0.56) CYP1A2POLBMAPTPDE3BPDE3A

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-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 — — EP disclosed
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