SCHEMBL6920434

SCHEMBL6920434

Cn1ccnc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LDHA P00338 8/20 0.46
LDHB P07195 8/20 0.46
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL6563493 0.83 HTT (0.49) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL5918187 0.83 LDHA (0.60) MAPTKMT2AALDH1A1NPC1POLB
SCHEMBL1045991 0.83 SMN1; SMN2 (0.58) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL4199041 0.81 HTT (0.47) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL5604635 0.80 TSHR (0.49) MAPTKMT2AALDH1A1LMNAHTT
SCHEMBL28865452 0.80 GAA (0.56) MAPTKMT2AALDH1A1LMNAHTT
Bromide SCHEMBL7373319 0.78 RAB9A (0.48) MAPTKMT2AALDH1A1NPC1POLB
SCHEMBL11669666 0.77 LDHA (0.47) MAPTKMT2AALDH1A1NPC1LMNA
SCHEMBL11669485 0.77 LDHA (0.52) MAPTKMT2AALDH1A1MEN1NPC1
SCHEMBL11671326 0.77 LDHA (0.58) MAPTKMT2AALDH1A1MEN1NPC1

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-2004046141-A1 NEW TRICYCLIC ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2004-06-03 WO disclosed