SCHEMBL7913445

SCHEMBL7913445

CCOc1c(C#N)c(-n2ccnn2)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SQOR Q9Y6N5 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ POLB P06746 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ RPS27 P42677 2/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 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
SCHEMBL7914416 0.91 ALDH1A1 (0.40) KDM4EALDH1A1POLBMAPTNPSR1
SCHEMBL7906142 0.81 KDM4E (0.42) KDM4EALDH1A1SQORPDE10APOLB
SCHEMBL7913446 0.80 SQOR (0.44) KDM4EALDH1A1SQORPOLBKMT2A
SCHEMBL7916401 0.77 ADORA2A (0.43) KDM4EALDH1A1POLBMAPTNPSR1
SCHEMBL7913463 0.76 ALDH1A1 (0.37) KDM4EALDH1A1SQORPOLBMAPT
SCHEMBL7914421 0.73 ALDH1A1 (0.40) KDM4EALDH1A1SQORPOLBKMT2A
SCHEMBL2871462 0.72 ALDH1A1 (0.40) KDM4EALDH1A1PDE10APOLBMAPT
SCHEMBL7916437 0.72 ALDH1A1 (0.38) KDM4EALDH1A1PDE10APOLBKMT2A
SCHEMBL7914406 0.71 CYP1A2 (0.38) KDM4EALDH1A1POLBKMT2AMAPT
SCHEMBL29488275 0.71 POLB (0.61) KDM4EALDH1A1POLBKMT2AMAPT

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
US-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 — — US disclosed
Send feedback