SCHEMBL359349

SCHEMBL359349

Clc1nc2cc(Br)cnc2s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
PLAU P00749 1/20 0.36
PTPN7 P35236 3/20 0.33
DUSP3 P51452 3/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAPDH P04406 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL19341416 0.80 KMT2A (0.34) PLAUKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL368876 0.77 KMT2A (0.33) KMT2A
SCHEMBL360736 0.77 HTT (0.41) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL360056 0.77 KMT2A (0.33) KMT2AIDO1
SCHEMBL16476934 0.77 SMN1; SMN2 (0.41) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL15713825 0.77 DYRK1A (0.33) DYRK1AHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL2706690 0.74 DYRK1A (0.34) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL24869554 0.73 HDAC6 (0.34) KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30995460 0.73 NPSR1 (0.39) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL15241061 0.73 UBE2T (0.40) DYRK1AKMT2AHTTSMN1; SMN2ALDH1A1

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-2012007510-A1 COMPOUNDS FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed