SCHEMBL6155891

SCHEMBL6155891

Nc1ccc(-c2n[nH]cc2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 2/20 0.39
METAP2 P50579 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
MAPT P10636 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 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
SCHEMBL3848746 0.80 ERBB2 (0.41) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL1555150 0.80 ERBB2 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL518672 0.79 ALOX15 (0.48) ALDH1A1CYP3A4ALOX15MAPK1MAPT
SCHEMBL28111318 0.79 CYP3A4 (0.42) PDE3BPDE3APDE5APDE1APDE1B
SCHEMBL2148744 0.78 LMNA (0.40) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL3850635 0.77 MEN1 (0.51) PDE3BPDE3APDE1APDE1BPDE1C
SCHEMBL3850689 0.77 NISCH (0.39) ALDH1A1LMNA
SCHEMBL10775547 0.76 ALDH1A1 (0.39) PDE3BPDE3APDE5APDE1APDE1B
SCHEMBL27844934 0.76 ERBB2 (0.41) CA12CA1CA2CA9CHEK1
SCHEMBL6153844 0.76 MAPT (0.41) ALDH1A1ALOX15MAPTHSD17B10KDM4E

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