SCHEMBL29956682

SCHEMBL29956682

Cc1nn(-c2ccccc2)c(Br)c1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
HTT P42858 2/20 0.60
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4C Q9H3R0 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 3/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL1779819 0.83 HTT (0.64) LMNAHTTALOX15KDM4EPOLB
SCHEMBL15332125 0.82 LMNA (0.46) LMNAHTTALOX15KDM4EPOLB
SCHEMBL1267498 0.80 SMN1; SMN2 (0.66) LMNAHTTKDM4EPOLBSMN1; SMN2
SCHEMBL8883850 0.80 LMNA (0.60) LMNAHTTALOX15KDM4EPOLB
SCHEMBL3835167 0.80 HTT (0.64) LMNAHTTALOX15KDM4EPOLB
SCHEMBL8883561 0.80 LMNA (0.60) LMNAHTTALOX15KDM4EPOLB
SCHEMBL29953204 0.80 ALDH1A1 (0.47) LMNAHTTALOX15KDM4EPOLB
SCHEMBL15331538 0.79 LMNA (0.46) LMNAHTTALOX15KDM4EPOLB
SCHEMBL15331371 0.79 LMNA (0.46) LMNAHTTKDM4EPOLBSMN1; SMN2
SCHEMBL9194180 0.79 CYP1A2 (0.59) LMNAHTTALOX15KDM4EPOLB

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