SCHEMBL10879334

SCHEMBL10879334

CC(C)OC(=O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
ALDH1A1 P00352 7/20 0.50
CYP3A4 P08684 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.44

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
SCHEMBL11655618 0.87 HTT (0.48) CRHBPCRHR2ALDH1A1CYP3A4TDP1
SCHEMBL6566905 0.85 CA12 (0.62) CRHBPCRHR2ALDH1A1TDP1MAPT
SCHEMBL231452 0.84 ALDH1A1 (0.47) CRHBPCRHR2ALDH1A1MAPTHTT
SCHEMBL890895 0.83 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL28536038 0.82 CA12 (0.62) CRHBPCRHR2ALDH1A1CYP3A4TDP1
Ammonia Solution, Strong SCHEMBL18152533 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL30894817 0.80 TDP1 (0.59) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL6241415 0.80 TDP1 (0.59) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL13761375 0.80 LMNA (0.60) ALDH1A1CYP3A4TDP1ALOX15MAPT
SCHEMBL16392517 0.79 CYP19A1 (0.51) CRHBPCRHR2ALDH1A1CYP3A4TDP1

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-0065811-B1 DISPERSE AZOPYRIMIDINE DYESTUFFS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed