SCHEMBL21037892

SCHEMBL21037892

C/C=C(\C#N)c1nc2c(o1)CCC=C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
KDM4E B2RXH2 4/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL31022115 0.68
SCHEMBL16168626 0.60 RAB9A (0.41) MAPTKDM4EALDH1A1KMT2ANPC1
SCHEMBL21037023 0.57 MAPT (0.61) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL21297591 0.56 FAAH (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL10177473 0.55 ALDH1A1 (0.53) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL1342671 0.55 ALDH1A1 (0.53) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL1342675 0.55 ALDH1A1 (0.53) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL15660986 0.55 MAPT (0.61) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL21160734 0.55 MAPT (0.59) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL11213022 0.53

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