SCHEMBL20566720

SCHEMBL20566720

CCN(CCO)c1ccc(N=Nc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.58
MAPT P10636 7/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
PSMD14 O00487 2/20 0.58
MITF O75030 1/20 0.58
KDM4E B2RXH2 6/20 0.46
GAA P10253 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 4/20 0.46
THRB P10828 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 6/20 0.45
TDP1 Q9NUW8 6/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 1/20 0.45
MMP14 P50281 1/20 0.45
CRHBP P24387 1/20 0.39

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
SCHEMBL16222277 1.00 KMT2A (0.58) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL25485940 0.92 KMT2A (0.65) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL9301336 0.90 KMT2A (0.49) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL15741279 0.90 ALDH1A1 (0.54) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL12069745 0.86 MAPT (0.54) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL4637916 0.85 KMT2A (0.59) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL4638072 0.85 KMT2A (0.59) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL13452275 0.84 KMT2A (0.58) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL14111248 0.83 KMT2A (0.60) KMT2AMAPTNPC1RAB9APSMD14
SCHEMBL19823005 0.83 KMT2A (0.54) KMT2AMAPTNPC1RAB9APSMD14

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
EP-2992053-B1 COLORING AGENTS NATURALISED WITH THE 6'-DEOXY-6'-(PIPERAZINYL)LACTOSE MOIETY UNIV DEGLI STUDI DI FIRENZE (IT) 2018-11-28 EP disclosed
CN-105555877-B Colorants grafted with 6 '-deoxy-6' - (piperazinyl) lactose moieties 佛罗伦萨大学 2017-04-05 CN disclosed