SCHEMBL10647923

SCHEMBL10647923

O=c1ccc(-c2ccc(Cn3cccn3)s2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDE3A Q14432 2/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 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
SCHEMBL10650151 0.84 CYP1A2 (0.41) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL10646960 0.79 HTT (0.39) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL10645457 0.77 CYP11B1 (0.56) CYP1A2POLBPDE3APDE3BCYP11B1
SCHEMBL10648317 0.77 CYP1A2 (0.39) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL10651361 0.75 KMT2A (0.38) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL10648447 0.75 CYP1A2 (0.41) CYP1A2KMT2AMEN1POLBPKM
SCHEMBL10646023 0.72 SMN1; SMN2 (0.40) CYP1A2KMT2ARAB9APDE3APDE3B
SCHEMBL11115116 0.70 PDE3B (0.44) KMT2APDE3APDE3BCYP11B1CYP11B2
SCHEMBL10649242 0.69 TSHR (0.40) POLB
SCHEMBL10651613 0.68 PDE3B (0.43) PDE3APDE3BCYP11B1CYP11B2

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
Send feedback