SCHEMBL10338409

SCHEMBL10338409

CC1=C(c2ccc(Nc3ccncc3)cc2)CCC(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.55
▸ PDE3B Q13370 3/20 0.39
▸ PDE3A Q14432 3/20 0.39
▸ RAD52 P43351 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ BUB1 O43683 4/20 0.36
▸ CRBN Q96SW2 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CHEK1 O14757 3/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34

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
SCHEMBL11079732 0.86 PDE3B (0.49) KCNH2PDE3BPDE3ACRBNCYP19A1
SCHEMBL7450630 0.74 PDE3B (0.61) PDE3BPDE3ACRBNKMT2AMEN1
SCHEMBL9630168 0.73 TDP2 (0.38) CRBNCHEK1
Hydrochloric Acid SCHEMBL10756530 0.73 PDE3B (0.60) PDE3BPDE3ACRBNKMT2AMEN1
SCHEMBL11008299 0.73 SRD5A1 (0.42) PDE3BPDE3ACRBNKMT2ACYP19A1
SCHEMBL11083179 0.72 CYP11B1 (0.52) PDE3BPDE3ACRBNCYP19A1
SCHEMBL11084887 0.71 ALDH1A1 (0.46) CRBNKMT2ADDB1KDM4EMEN1
Senazodan SCHEMBL1652002 0.71 KCNH2 (1.00) KCNH2PDE3BPDE3AKMT2APDE2A
Senazodan SCHEMBL1649599 0.70 KCNH2 (0.97) KCNH2PDE3BPDE3AKMT2APDE2A
Senazodan SCHEMBL4519202 0.70 KCNH2 (0.97) KCNH2PDE3BPDE3AKMT2APDE2A

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
JP-2059571-A — — None — — JP disclosed
JP-H0259571-A PYRIDONE DERIVATIVE OR SALTS THEREOF MITSUBISHI KASEI CORP 1990-02-28 — — JP disclosed
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