SCHEMBL29134586

SCHEMBL29134586

CCCCC(CCC)OC(=O)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 2/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL29041471 0.95 KDM4E (0.51) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL28405103 0.93 KDM4E (0.52) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL28377616 0.93 KDM4E (0.52) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL3916643 0.86 KDM4E (0.51) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL15012422 0.81 KDM4E (0.50) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL15012403 0.80 KDM4E (0.52) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL15012254 0.80 KDM4E (0.52) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL15012872 0.80 KDM4E (0.52) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL15012395 0.80 KDM4E (0.52) LONP1KDM4EMAPTTDP1RAB9A
SCHEMBL3914664 0.80 KDM4E (0.52) LONP1KDM4EMAPTTDP1RAB9A

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
CN-116997548-A HTT modulators for the treatment of huntington's disease CHDI基金会股份有限公司 2023-11-03 CN disclosed