SCHEMBL6980082

SCHEMBL6980082

COc1cc2c3c(c1)c1ccc(Br)cc1n3CC(C)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
APP P05067 3/20 0.34
SIRT2 Q8IXJ6 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL6978242 0.91 ACHE (0.39) ACHECDK5CDK5R1ALDH1A1CCNB2
SCHEMBL6975209 0.84 ACHE (0.42) ACHEALDH1A1GSK3BMEN1KMT2A
SCHEMBL6969812 0.80 APP (0.34) ACHECDK5CDK5R1APPSIRT2
SCHEMBL7667134 0.73 TUBB4A (0.33) ACHECDK5CDK5R1APPSIRT2
SCHEMBL6970805 0.70 PDK1 (0.36) ACHEALDH1A1CCNB2CDK1CCNB1
SCHEMBL6982970 0.69 GABRP (0.35) APPSIRT2ALDH1A1GSK3BKMT2A
SCHEMBL6978385 0.68 CYP19A1 (0.37) SIRT2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28597230 0.64 ALDH1A1 (0.39) APPALDH1A1MEN1CYP3A4CYP2D6
SCHEMBL2801597 0.64 ALDH1A1 (0.53) ACHEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6982697 0.63 TUBB4A (0.42) ALDH1A1GSK3BMEN1KMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed