SCHEMBL9770753

SCHEMBL9770753

CN(C)c1cc(N)cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP19A1 P11511 1/20 0.40
PLG P00747 1/20 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
SCHEMBL539064 0.79 ALDH1A1 (0.60) TSHRMAPTALDH1A1HTTPOLB
SCHEMBL65293 0.79 CYP19A1 (0.62) TSHRMAPTALDH1A1HTTPOLB
SCHEMBL15720733 0.77 KMT2A (0.47) TSHRMAPTALDH1A1HTTCYP3A4
SCHEMBL17160442 0.77 KMT2A (0.47) TSHRMAPTALDH1A1HTTPOLB
SCHEMBL249094 0.77 MAPT (0.44) TSHRMAPTALDH1A1HTTCYP3A4
SCHEMBL22032825 0.77 ALDH1A1 (0.46) TSHRMAPTALDH1A1HTTNPC1
SCHEMBL3924064 0.74 LMNA (0.46) TSHRMAPTHTTPOLBCYP3A4
SCHEMBL5538329 0.74 CYP19A1 (0.62) TSHRMAPTALDH1A1HTTPOLB
SCHEMBL1396 0.74 TSHR (0.78) TSHRMAPTALDH1A1HTTPOLB
SCHEMBL17265773 0.73 ALDH1A1 (0.52) TSHRMAPTALDH1A1NPC1CYP3A4

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
US-5022738-A Optical fiber nonlinear wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-06-11 US disclosed
EP-0420156-A1 Wavelength modulator device SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1991-04-03 EP disclosed