SCHEMBL29958285

SCHEMBL29958285

OB(O)c1cccc(NC2CCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.53
MAP4K4 O95819 1/20 0.42
CNR1 P21554 1/20 0.40
HCAR3 P49019 1/20 0.40
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CACNA1B Q00975 2/20 0.39
APBA1 Q02410 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SYK P43405 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29956563 0.98 CTSK (0.55) CTSKMAP4K4CNR1HCAR3KMT2A
SCHEMBL29957838 0.97 CTSK (0.49) CTSKMAP4K4CNR1HCAR3KMT2A
SCHEMBL29951353 0.93 CTSK (0.44) CTSKMAP4K4HCAR3KMT2AALDH1A1
SCHEMBL16334530 0.74 CTSK (0.57) CTSKMAP4K4CNR1KMT2AKDM4E
SCHEMBL13915436 0.74 ALDH1A1 (0.60) CTSKMAP4K4KMT2AKDM4EALDH1A1
SCHEMBL29956132 0.74 CNR2 (0.42) LMNASMN1; SMN2SYKCNR2FFAR4
SCHEMBL29632510 0.72 CTSK (0.59) CTSKMAP4K4KDM4EALDH1A1LMNA
SCHEMBL29955535 0.72 CNR2 (0.44) SYKCNR2FFAR4
SCHEMBL29632728 0.72 CTSK (0.59) CTSKMAP4K4CNR1KMT2AKDM4E
SCHEMBL4067162 0.71 CTSK (0.50) CTSKMAP4K4CNR1HCAR3KMT2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed