SCHEMBL29953878

SCHEMBL29953878

Nc1cc(C=O)c(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PRKDC P78527 1/20 0.38
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
ERN1 O75460 3/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
PDPK1 O15530 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32

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
SCHEMBL19794988 0.78 LMNA (0.41) LMNAPRKDCERN1TRIM24TRIM33
SCHEMBL29411231 0.78 LMNA (0.41) LMNAPRKDCERN1TRIM24TRIM33
SCHEMBL29952510 0.75 ALOX5AP (0.39) NOS3NOS1NOS2ERN1PDPK1
SCHEMBL30054303 0.75 ERN1 (0.41) LMNAPRKDCERN1TRIM24TRIM33
SCHEMBL29956002 0.75 NOS3 (0.56) NOS3NOS1NOS2ERN1KMT2A
SCHEMBL15012943 0.75 TDP1 (0.38) NOS3NOS1NOS2ERN1PDPK1
SCHEMBL16702226 0.75 LMNA (0.39) LMNAPRKDCERN1TRIM24TRIM33
SCHEMBL14901952 0.75 LMNA (0.43) LMNAPRKDCERN1TRIM24TRIM33
SCHEMBL9938111 0.75 ERN1 (0.41) LMNAPRKDCERN1TRIM24TRIM33
SCHEMBL13699234 0.75 NOS3 (0.35) NOS3NOS1NOS2ERN1PDPK1

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