SCHEMBL29953765

SCHEMBL29953765

O=Cc1c(Cl)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
GAA P10253 2/20 0.53
EGFR P00533 2/20 0.51
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ERBB2 P04626 2/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
HTR2C P28335 1/20 0.46
PLAU P00749 1/20 0.46
JAK2 O60674 1/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL29955932 0.89 KDM4E (0.52) ALDH1A1GAAKDM4EPOLBMEN1
SCHEMBL6826964 0.74 KDM4E (0.50) ALDH1A1GAAEGFRKDM4EPOLB
SCHEMBL16534866 0.73 ALDH1A1 (0.53) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL8413824 0.72 KDM4E (0.74) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL29956807 0.71 HTR6 (0.46) ALDH1A1KDM4EPOLBHSD17B10MEN1
SCHEMBL12793245 0.70 POLB (0.88) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL847277 0.70 POLB (0.69) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL20380034 0.69 MEN1 (0.61) ALDH1A1GAAKDM4EPOLBHSD17B10
SCHEMBL22898794 0.69 LMNA (0.51) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL29363428 0.69 LMNA (0.51) ALDH1A1GAAKDM4EMEN1KMT2A

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