Orthotolidine

Orthotolidine

SCHEMBL5069476

COc1cc(-c2ccc(N)c(OC)c2)ccc1N.Cc1cc(-c2ccc(N)c(C)c2)ccc1N.Nc1cccc(C(=O)c2cccc(N)c2)c1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HSD17B10 Q99714 1/20 0.51
PBRM1 Q86U86 1/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
PTPN1 P18031 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL8626259 0.85 ALDH1A1 (0.58) LMNANPC1MITFPOLBALDH1A1
SCHEMBL7194336 0.80 NPC1 (0.78) LMNANPC1MITFPOLBALDH1A1
SCHEMBL12775033 0.80 ALDH1A1 (0.80) POLBALDH1A1CYP3A4TSHRTDP1
Orthotolidine SCHEMBL3355218 0.80 ALDH1A1 (0.80) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL16394198 0.78 ALDH1A1 (0.65) LMNAALDH1A1CYP3A4TSHRTDP1
SCHEMBL8625272 0.77 ALDH1A1 (0.64) LMNANPC1ALDH1A1CYP3A4TSHR
SCHEMBL3784708 0.77 ALDH1A1 (0.74) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL8626011 0.76 ALDH1A1 (0.78) LMNANPC1MITFPOLBALDH1A1
Orthotolidine SCHEMBL28832921 0.76 ALDH1A1 (0.54) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL4825052 0.75 CYP1A2 (0.71) LMNANPC1MITFPOLBALDH1A1

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
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed