SCHEMBL11035929

SCHEMBL11035929

C=CCN(/C=C/c1cccc([N+](=O)[O-])c1[N+](=O)[O-])CC=C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.39
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 3/20 0.35
CA12 O43570 1/20 0.35
SOS1 Q07889 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAOB P27338 1/20 0.34
BACE1 P56817 1/20 0.33
STAT3 P40763 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL11035931 1.00 GPR35 (0.41) GPR35TSHRMAPTERN1KDM4E
SCHEMBL11034340 0.87 MAPT (0.53) MAPTKDM4ECA12SOS1ALDH1A1
SCHEMBL11034335 0.87 MAPT (0.53) MAPTKDM4ECA12SOS1ALDH1A1
SCHEMBL7298558 0.81 TSHR (0.44) GPR35TSHRMAPTERN1KDM4E
SCHEMBL10414316 0.81 TSHR (0.44) GPR35TSHRMAPTERN1KDM4E
SCHEMBL11006035 0.78 TSHR (0.50) GPR35TSHRMAPTERN1KDM4E
SCHEMBL7298528 0.78 TSHR (0.50) GPR35TSHRMAPTERN1KDM4E
SCHEMBL9422617 0.75 GPR35 (0.53) GPR35TSHRMAPTERN1KDM4E
SCHEMBL1174499 0.72 MAPT (0.73) GPR35TSHRMAPTERN1KDM4E
SCHEMBL27935920 0.70 ERN1 (0.65) GPR35TSHRMAPTERN1TDP1

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
US-4506078-A 7-AMINOINDOLE PHOTOGRAPHIC DYES HOFFMANN-LA ROCHE INC. (US) 1985-03-19 US disclosed