SCHEMBL21037023

SCHEMBL21037023

CC(C)[C@@H](C)/C=C(/C#N)c1nc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPK1 P28482 2/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
KDM4E B2RXH2 7/20 0.58
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 4/20 0.56
HTT P42858 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 4/20 0.55
HPGD P15428 3/20 0.55
USP2 O75604 1/20 0.51
PSMB8 P28062 1/20 0.44
GLO1 Q04760 1/20 0.39
XDH P47989 1/20 0.39
FAAH O00519 1/20 0.39
HSF1 Q00613 2/20 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
SCHEMBL15660991 0.78 MAPT (0.61) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL21160734 0.78 MAPT (0.59) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL15660986 0.78 MAPT (0.61) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL15660988 0.78 MAPT (0.61) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL14518023 0.71 MAPT (0.58) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL21037399 0.70 TTR (0.43) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL13050439 0.70 MAPT (0.64) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL11929986 0.69 ELANE (0.50) MAPTKDM4EALDH1A1LMNAUSP2
SCHEMBL23902532 0.69 XDH (0.51) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL14110401 0.69 FAAH (0.47) MAPTRAB9ANPC1KDM4EALDH1A1

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-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 EP disclosed