SCHEMBL9566865

SCHEMBL9566865

CN(C)c1ccc(Br)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
APP P05067 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
PYCR1 P32322 1/20 0.39
CCR5 P51681 1/20 0.39
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A3 P47895 1/20 0.33
AHR P35869 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL9485990 0.80 CCR5 (0.42) ALOX15APPALDH1A1MAPK1L3MBTL1
SCHEMBL29437378 0.79 ALOX15 (0.46) ALOX15ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL1874361 0.79 ALOX15 (0.46) ALOX15ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL8644984 0.78 CRHR1 (0.46) ALOX15APPALDH1A1TSHRHSD17B10
SCHEMBL15281583 0.78 MAPT (0.42) APPALDH1A1TSHRHSD17B10MAPK1
SCHEMBL14808309 0.78 HRH4 (0.41) APPALDH1A1MAPK1MAPTPYCR1
SCHEMBL454679 0.76 ALDH1A1 (0.40) APPALDH1A1TSHRHSD17B10MAPK1
SCHEMBL6726449 0.76 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10MAPK1TDP1
SCHEMBL1932115 0.76 ALDH1A1 (0.41) ALOX15ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL13830595 0.76 MAPK1 (0.38) APPALDH1A1TSHRHSD17B10MAPK1

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
EP-0558857-A1 Method for the manufacture of P-bromodimethyl aniline IMI (TAMI) INSTITUTE FOR RESEARCH & DEVELOPMENT LTD. (IL) 1993-09-08 EP disclosed