SCHEMBL7445665

SCHEMBL7445665

NC(=O)CNc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
OGG1 O15527 1/20 0.45
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GRK2 P25098 1/20 0.44
LMNA P02545 1/20 0.44
AGER Q15109 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
F13A1 P00488 1/20 0.42

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
SCHEMBL5735887 0.83 KMT2A (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL3659518 0.81 PEPD (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL12378828 0.81 MEN1 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL3995569 0.81 ESR1 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL161755 0.81 MEN1 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL11647073 0.81 CA1 (0.41) CA12CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL27072143 0.80 MEN1 (0.47) MEN1KMT2ASMN1; SMN2OGG1HDAC1
SCHEMBL5518500 0.79 ALDH1A1 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL4395547 0.79 NPC1 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL28470399 0.79 KMT2A (0.55) MEN1KMT2ACA12CA1CA2

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-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO claimed