SCHEMBL6153844

SCHEMBL6153844

CN(C)c1ccc(-c2n[nH]cc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOX1 Q9Y5S8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NOTUM Q6P988 1/20 0.39
APP P05067 3/20 0.36
AURKA O14965 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
ADK P55263 1/20 0.35

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
SCHEMBL3850635 0.76 MEN1 (0.51) MAPTALDH1A1KDM4EHPGD
SCHEMBL1555150 0.76 ERBB2 (0.41) SMN1; SMN2ALDH1A1NOTUM
SCHEMBL3848746 0.76 ERBB2 (0.41) NOTUMKDM4E
SCHEMBL6155891 0.76 PDE3B (0.39) MAPTSMN1; SMN2ALDH1A1HSD17B10ALOX15
SCHEMBL518672 0.75 ALOX15 (0.48) MAPTSMN1; SMN2ALDH1A1HSD17B10ALOX15
SCHEMBL2148744 0.73 LMNA (0.40) MAPTNOTUM
SCHEMBL27735723 0.71 NPSR1 (0.35) SMN1; SMN2ALDH1A1TSHRPTGDR2KDM4E
SCHEMBL3846701 0.71 NOTUM (0.39) MAPTSMN1; SMN2ALDH1A1TSHRNOTUM
SCHEMBL27844934 0.71 ERBB2 (0.41) NOTUM
SCHEMBL4317166 0.69 ABCC8 (0.46) MAPTSMN1; SMN2ALDH1A1NOTUMAPP

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
EP-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 WO disclosed