SCHEMBL8425239

SCHEMBL8425239

CCCC1=NN(c2ccccn2)C(=O)C1=CNc1ccccc1CC.CCc1ccccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.36
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 4/20 0.33
THRB P10828 3/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
CYBB P04839 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
DHFR P00374 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8425237 1.00 PTK2 (0.36) PTK2MAPK1NPSR1ALDH1A1MEN1
SCHEMBL6953602 0.95 PTK2 (0.39) PTK2MAPK1NPSR1ALDH1A1MEN1
SCHEMBL6953597 0.95 PTK2 (0.39) PTK2MAPK1NPSR1ALDH1A1MEN1
SCHEMBL8423654 0.87 PTK2 (0.38) PTK2MAPK1NPSR1ALDH1A1KMT2A
SCHEMBL8423653 0.87 PTK2 (0.38) PTK2MAPK1NPSR1ALDH1A1KMT2A
SCHEMBL8425734 0.86 KMT2A (0.38) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8425736 0.86 KMT2A (0.38) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8425497 0.84 ALDH1A1 (0.35) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8425499 0.84 ALDH1A1 (0.35) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8428139 0.83 KMT2A (0.40) MAPK1ALDH1A1MEN1KMT2AMAPT

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-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed