SCHEMBL7906146

SCHEMBL7906146

CCOc1nc2ccccc2c(-n2nccn2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 2/20 0.47
▸ MAPK8 P45983 5/20 0.43
▸ RPS27 P42677 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK9 P45984 2/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ ELANE P08246 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.36

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
SCHEMBL2871464 0.90 ALDH1A1 (0.42) SQORMAPK8RPS27MEN1KMT2A
SCHEMBL7913446 0.81 SQOR (0.44) SQORMAPK8RPS27MEN1KMT2A
SCHEMBL7916445 0.78 ALDH1A1 (0.40) SQORMAPK8RPS27MEN1KMT2A
SCHEMBL7906142 0.78 KDM4E (0.42) SQORMAPK8RPS27MEN1KMT2A
SCHEMBL7916403 0.75 ALDH1A1 (0.40) SQORMAPK8MEN1KMT2AALDH1A1
SCHEMBL7914421 0.72 ALDH1A1 (0.40) SQORMAPK8MEN1KMT2AALDH1A1
SCHEMBL7914410 0.72 ALDH1A1 (0.40) SQORMAPK8MEN1KMT2AALDH1A1
SCHEMBL2871462 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1POLBMAPT
SCHEMBL20975374 0.70 PDE10A (0.44) ALDH1A1KDM4EHPGDTSHRPDE10A
SCHEMBL7913465 0.70 ALDH1A1 (0.40) SQORMAPK8MEN1KMT2AALDH1A1

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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