SCHEMBL7653336

SCHEMBL7653336

OCCCNc1c[c]ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.46
NUDT1 P36639 1/20 0.46
FYN P06241 4/20 0.40
CHEK1 O14757 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
CDK1 P06493 4/20 0.33
CDK2 P24941 3/20 0.33
MTOR P42345 2/20 0.33
SMG1 Q96Q15 2/20 0.33
CDK4 P11802 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CCND1 P24385 2/20 0.33
CDK7 P50613 2/20 0.33
CCNH P51946 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
CYP1A2 P05177 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
SCHEMBL6641016 0.89 KDM4E (0.39) KDM4DNUDT1MKNK1CDK1CDK2
SCHEMBL7662000 0.82 HRH3 (0.47) NUDT1CHEK1CDK7
SCHEMBL5485787 0.81 DNM2 (0.42)
SCHEMBL5897125 0.78 HRH3 (0.35) CHEK1CYP1A2
SCHEMBL15688595 0.78 HCAR3 (0.37) FYNHTT
SCHEMBL7119883 0.76 HRH3 (0.36)
SCHEMBL7121214 0.74 CYP2C19 (0.56)
SCHEMBL1751921 0.73
SCHEMBL7221398 0.71 TP53 (0.36) KDM4DRAB9A
SCHEMBL853671 0.70 CYP1A2 (0.58) KDM4DNUDT1POLBRAD52CYP1A2

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
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
CN-1279682-A bicyclic kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-01-10 CN disclosed