SCHEMBL3474780

SCHEMBL3474780

Cc1cc(Br)ccc1CC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PYCR1 P32322 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
DGAT1 O75907 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
OGG1 O15527 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL30354629 0.83 RXRA (0.51) PYCR1MEN1KMT2ALMNAMAPT
SCHEMBL1922484 0.83 MAPT (0.43) PYCR1MEN1KMT2AMAPTNPSR1
SCHEMBL5985 0.83 RXRA (0.51) PYCR1MEN1KMT2ALMNAMAPT
SCHEMBL3472224 0.82 MTNR1A (0.40) SMN1; SMN2PYCR1MEN1KMT2AMAPT
SCHEMBL2702114 0.81 ICMT (0.45) MEN1KMT2AHTT
SCHEMBL23997364 0.81 OGG1 (0.46) SMN1; SMN2PYCR1MEN1KMT2ALMNA
SCHEMBL29897640 0.79 DGAT1 (0.43) SIRT1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15661539 0.79 PDE10A (0.45) MEN1KMT2ALMNAHTTMAPT
SCHEMBL9539850 0.79 MEN1 (0.44) SMN1; SMN2PYCR1MEN1KMT2ALMNA
SCHEMBL13751380 0.79 HPGD (0.45) SMN1; SMN2PYCR1MEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed
WO-2010149359-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BENZIMIDAZOLECARBOXYLIC ACIDS LONZA LTD (CH) 2010-12-29 WO disclosed