SCHEMBL11695334

SCHEMBL11695334

CCNc1nc2ccccc2nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.49
▸ TLR8 Q9NR97 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ILK Q13418 1/20 0.43
▸ APP P05067 2/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP1A1 P04798 2/20 0.42
▸ PGK1 P00558 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NUDT1 P36639 1/20 0.41

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
SCHEMBL24688290 0.86 KDM4E (0.57) KDM4EMAPTMAPK1NPSR1L3MBTL1
SCHEMBL26534307 0.78 MAPT (0.47) KDM4EMAPTALDH1A1GAAMAPK1
SCHEMBL17014813 0.77 KDM4E (0.70) KDM4EMAPTALDH1A1MAPK1NPSR1
SCHEMBL12531832 0.77 KDM4E (0.47) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL5251089 0.74 NPY5R (0.46) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL23877071 0.74 KDM4E (0.42) KDM4EMAPTMAPK1NPSR1L3MBTL1
SCHEMBL11777592 0.74 HRH3 (0.47) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL11775033 0.72 MAP4K4 (0.53) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL29444102 0.71 MAPT (1.00) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL503252 0.71 MAPT (1.00) KDM4EMAPTALDH1A1GAAHPGD

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-4003750-A METHINE DYES EASTMAN KODAK COMPANY (US) 1977-01-18 — — US disclosed
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