SCHEMBL7906142

SCHEMBL7906142

CCOc1c(C#N)c(-n2nccn2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SQOR Q9Y6N5 1/20 0.39
▸ PDE10A Q9Y233 2/20 0.38
▸ RPS27 P42677 2/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ SLC2A1 P11166 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
SCHEMBL2871462 0.90 ALDH1A1 (0.40) KDM4EALDH1A1PDE10APOLBMAPT
SCHEMBL7913445 0.81 KDM4E (0.41) KDM4EALDH1A1SQORPDE10ARPS27
SCHEMBL7916437 0.78 ALDH1A1 (0.38) KDM4EALDH1A1PDE10AKMT2AMEN1
SCHEMBL7906146 0.78 SQOR (0.47) KDM4EALDH1A1SQORPDE10ARPS27
SCHEMBL7916401 0.76 ADORA2A (0.43) KDM4EALDH1A1POLBMAPTNPSR1
SCHEMBL4960133 0.73 SQOR (0.43) KDM4EALDH1A1SQORPDE10ARPS27
SCHEMBL7914416 0.72 ALDH1A1 (0.40) KDM4EALDH1A1POLBMAPTNPSR1
SCHEMBL7914406 0.72 CYP1A2 (0.38) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL3349292 0.71 POLB (0.61) KDM4EALDH1A1KMT2AMEN1ELANE
SCHEMBL29488275 0.71 POLB (0.61) KDM4EALDH1A1KMT2AMEN1ELANE

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-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 — — US disclosed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 — — US disclosed
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