SCHEMBL29952019

SCHEMBL29952019

CCOC(=O)c1nn2c(Br)cccc2c1C=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.44
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL22438753 0.76 RXFP1 (0.53) ELANEF2PLAUALDH1A1MAPT
SCHEMBL29956715 0.75 ELANE (0.46) ELANEALDH1A1MAPTSMN1; SMN2
SCHEMBL7613 0.75 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL29955892 0.74 ELANE (0.45) ELANEALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL32663296 0.73 SMN1; SMN2 (0.42) ELANEALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL20477246 0.73 CYP19A1 (0.54) ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL24709861 0.73 MEN1 (0.47) ELANEALDH1A1MAPTKDM4EHPGD
SCHEMBL16517612 0.72 ALDH1A1 (0.48) ELANEALDH1A1MAPTKDM4EHPGD
SCHEMBL29955507 0.72 SPR (0.40) ELANEF2PLAUALDH1A1MAPT
SCHEMBL31277480 0.72 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E

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