SCHEMBL13639868

SCHEMBL13639868

C#Cc1cccc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX5 P09917 1/20 0.39
S100A4 P26447 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL11443193 0.87 TSHR (0.46) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL8525124 0.84 VCAM1 (0.53) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL27573659 0.78 HSD17B10 (0.53) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL29450699 0.77 MEN1 (0.65) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL29903883 0.77 MEN1 (0.65) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL8623371 0.77 MEN1 (0.65) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL187061 0.76 ALDH1A1 (0.63) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL8686458 0.75 ALDH1A1 (0.52) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL4958995 0.75 TSHR (0.52) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL29715190 0.75 TSHR (0.50) TSHRLMNAMEN1KMT2AALDH1A1

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-2520557-A1 Novel precursors of glutamate derivatives Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 EP disclosed