SCHEMBL9045352

SCHEMBL9045352

Oc1n[c]c2nc[nH]c2n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.30
MCL1 Q07820 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
SCHEMBL6535 0.76 ALDH1A1 (0.33)
SCHEMBL7488862 0.76 PARP1 (0.30)
SCHEMBL7496538 0.69 PDK2 (0.30)
SCHEMBL9045356 0.68 ALDH1A1 (0.30)
Xanthine SCHEMBL918381 0.63 MEN1 (0.34) BCL2MCL1
Xanthine SCHEMBL9443796 0.63 MEN1 (0.34) BCL2MCL1
SCHEMBL840561 0.63 KDM4E (0.35)
SCHEMBL10402529 0.60 ALDH1A1 (0.30)
SCHEMBL16146330 0.60 CSNK2A1 (0.33) BCL2MCL1
SCHEMBL218972 0.60 LMNA (0.33) BCL2MCL1

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-0448726-B1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-04-24 EP disclosed
US-5338844-A 2-substituted-2-cyclopentenone compound and anticancer agent and bone formation accelerator comprising same as active ingredient TEIJIN LIMITED (JP) 1994-08-16 US disclosed
US-5216183-A Antitumor, anticarcinogenic agents; bone formation accelerators TEIJIN LIMITED (JP) 1993-06-01 US disclosed
EP-0448726-A1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-10-02 EP disclosed