SCHEMBL29708012

SCHEMBL29708012

O=Cc1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ CTSB P07858 4/20 0.56
▸ ALDH1A1 P00352 5/20 0.50
▸ ERN1 O75460 3/20 0.49
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ AR P10275 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ HPRT1 P00492 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL2030842 1.00 TDP1 (0.57) TDP1CTSBALDH1A1ERN1NCOA1
SCHEMBL1394957 0.89 TDP1 (0.69) TDP1CTSBALDH1A1ERN1NCOA1
SCHEMBL7788656 0.83 TDP1 (0.80) TDP1CTSBALDH1A1NCOA1NCOA3
SCHEMBL8159564 0.83 TDP1 (0.55) TDP1CTSBALDH1A1NCOA1NCOA3
SCHEMBL11268929 0.82 ALDH1A1 (0.49) TDP1CTSBALDH1A1ERN1LMNA
SCHEMBL10628192 0.81 ERN1 (0.54) TDP1CTSBALDH1A1ERN1NCOA1
SCHEMBL982388 0.78 KMT2A (0.61) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL29786760 0.78 KMT2A (0.61) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28001115 0.78 ERN1 (0.68) TDP1CTSBALDH1A1ERN1NCOA1
SCHEMBL26933026 0.78 MAPT (0.54) TDP1ALDH1A1ERN1NCOA1NCOA3

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-4003286-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL Henkel AG & Co. KGaA (DE) 2022-06-01 — — EP claimed
EP-4003286-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL Henkel AG & Co. KGaA (DE) 2022-06-01 — — EP disclosed
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