SCHEMBL23708151

SCHEMBL23708151

NC(=O)c1cc(Br)ccc1N1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
HSD17B10 Q99714 2/20 0.69
GFER P55789 2/20 0.69
MAPT P10636 2/20 0.69
THRB P10828 1/20 0.69
ALOX15 P16050 1/20 0.69
YWHAG P61981 1/20 0.69
HTT P42858 1/20 0.67
ALDH1A1 P00352 8/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PAX8 Q06710 1/20 0.48
GAA P10253 4/20 0.48

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
SCHEMBL4959047 0.87 CDC7 (0.58) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL11167415 0.83 ALDH1A1 (0.60) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL6104306 0.83 TSHR (0.49) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL17774819 0.81 KDM4E (1.00) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL17774829 0.80 HTT (1.00) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL12505443 0.80 KDM4E (0.69) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL28325509 0.80 HTT (0.71) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL23708584 0.79 GAA (0.48) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL16234290 0.79 HTT (0.69) KDM4EMEN1KMT2AHSD17B10GFER
SCHEMBL12505489 0.79 HTT (0.69) KDM4EMEN1KMT2AHSD17B10GFER

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
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed