SCHEMBL6822399

SCHEMBL6822399

Cn1nccc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
LMNA P02545 2/20 0.50
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL31040268 0.83 HTT (0.71) HTTKMT2ARAB9AL3MBTL1NPC1
SCHEMBL332638 0.83 HTT (0.71) HTTLMNAKMT2ARAB9AMAPT
SCHEMBL7592068 0.82 HTT (0.70) HTTLMNAKMT2ARAB9AMEN1
SCHEMBL27278396 0.81 HTT (0.67) HTTKMT2ARAB9AMEN1L3MBTL1
SCHEMBL333312 0.79 HTT (0.66) HTTLMNAKMT2ARAB9AMEN1
SCHEMBL31040279 0.78 HTT (0.63) HTTLMNAMAPTMAPK1L3MBTL1
SCHEMBL20741566 0.76 NPC1 (0.73) HTTKMT2ARAB9AMEN1RXFP1
SCHEMBL27676260 0.73 HTT (0.66) HTTLMNAKMT2ARAB9AMEN1
SCHEMBL18239335 0.72 HTT (0.56) HTTLMNAKMT2AMAPTNPSR1
SCHEMBL262323 0.71

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