SCHEMBL9354532

SCHEMBL9354532

Cc1cc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 7/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 4/20 0.47
▸ MAPT P10636 4/20 0.46
▸ HIF1A Q16665 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ TTR P02766 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ PMP22 Q01453 1/20 0.45

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
SCHEMBL10934571 0.89 CYP1A2 (0.51) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL27524163 0.85 MAPT (0.59) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL9353959 0.81 KMT2A (0.59) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL10934809 0.81 ALDH1A1 (0.49) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL4667166 0.79 ALDH1A1 (0.58) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL28366256 0.79 ACHE (0.57) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL9807385 0.78 ALDH1A1 (0.53) GPR35ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL27405098 0.78 ALDH1A1 (0.53) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL28244181 0.78 ALDH1A1 (0.56) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL5958796 0.77 TDP1 (0.65) GPR35ALDH1A1TSHRHPGDMAPK1

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-0357783-B1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES (JP) 1994-10-26 — — EP disclosed
EP-0357783-A1 SECONDARY NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL ELEMENT PREPARED THEREFROM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1990-03-14 — — EP disclosed
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