SCHEMBL10646469

SCHEMBL10646469

CCN(CC)CCn1nc(-c2ccc(-n3ccnc3)s2)c(C)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ DNMT1 P26358 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ UHRF1 Q96T88 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ADH5 P11766 1/20 0.30
▸ TOP2A P11388 1/20 0.30
▸ TOP2B Q02880 1/20 0.30

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
SCHEMBL10649836 0.83 PDE3B (0.35) POLBNPC1MITFDNMT1HTT
SCHEMBL10645524 0.71 PDE3B (0.61) POLBKMT2APDE3BPDE3AADH5
SCHEMBL11104830 0.69 PDE3B (0.36) KMT2APDE3BPDE3AADH5
SCHEMBL11099822 0.67 PDE3B (0.34) PDE3BPDE3AADH5
SCHEMBL10363287 0.67 PDE4A (0.42) PDE3BPDE3AADH5
SCHEMBL11101097 0.66 CYP3A4 (0.34) PDE3BPDE3A
SCHEMBL10647436 0.66 PDE3B (0.44) PDE3BPDE3AADH5
SCHEMBL10363632 0.65 PDE3B (0.38) PDE3BPDE3A
SCHEMBL10365674 0.65 PDE3B (0.45) POLBKMT2APDE3BPDE3AADH5
SCHEMBL10364015 0.65 PDE3B (0.41) POLBKMT2APDE3BPDE3AADH5

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
Send feedback