Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL27553000

N.NC(=O)c1ccc2c3cc-3nc2c1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
GLA P06280 1/20 0.46
CSNK2A2 P19784 4/20 0.43
CSNK2B P67870 4/20 0.43
LCK P06239 1/20 0.42
GRM2 Q14416 3/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.39
CSNK2A1 P68400 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL4088326 0.73 CHEK2 (0.44) KDM4EGLACSNK2A2CSNK2BLCK
SCHEMBL30507791 0.72 KDM4E (0.50) KDM4EGLACSNK2A2CSNK2BLCK
SCHEMBL2722136 0.71 KDM4E (0.55) KDM4EGLACSNK2A2CSNK2BLCK
SCHEMBL31000763 0.70 DHODH (0.48) KDM4ECSNK2A2CSNK2BGRM2TDP1
SCHEMBL2723566 0.70 KDM4E (0.49) KDM4EGLACSNK2A2CSNK2BLCK
SCHEMBL31000786 0.69 MKNK1 (0.52) CSNK2A2CSNK2BKMT2ACSNK2A1PIM1
SCHEMBL25082427 0.68 KDM4E (0.46) KDM4EGLACSNK2A2CSNK2BLCK
SCHEMBL11400984 0.68 KDM4E (0.43) KDM4EGLACSNK2A2CSNK2BLCK
SCHEMBL2723700 0.68 KDM4E (0.59) KDM4EGLAKMT2ATDP1NPC1
SCHEMBL30507784 0.68 DYRK1A (0.47) KDM4EGLACSNK2A2CSNK2BGRM2

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
CN-1289087-C Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
CN-1607951-A Quinoline derivatives as neuropeptide y antagonists HOFFMANN LA ROCHE (CH) 2005-04-20 CN disclosed