SCHEMBL16199569

SCHEMBL16199569

CNc1cc2c(cc1C#N)OCCOCCOCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 7/20 0.36
LMNA P02545 6/20 0.36
HTT P42858 3/20 0.36
BLM P54132 2/20 0.36
KDM4E B2RXH2 6/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL31633231 0.82 MAPT (0.45) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL16252949 0.77 MAPT (0.39) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL9235864 0.75 NPC1 (0.44) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL28798262 0.74 KDM4E (0.60) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL16199533 0.74 MAPT (0.47) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL16199552 0.73 MAPT (0.36) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL15981873 0.71 MAPT (0.37) KMT2AMAPTLMNAHTTBLM
SCHEMBL16199562 0.70 MAPK1 (0.47) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL16252950 0.70 KDM4E (0.36) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL16199536 0.70 MAPT (0.34) KMT2ARAB9ANPC1MAPTLMNA

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
EP-2796461-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF Beta Pharmaceuticals Co., Ltd. (CN) 2014-10-29 EP disclosed