SCHEMBL11058768

SCHEMBL11058768

CCOc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR35 Q9HC97 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.48
MAPK1 P28482 2/20 0.48
RECQL P46063 1/20 0.48
PTGS2 P35354 1/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CYP19A1 P11511 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL11421914 0.87 CYP19A1 (0.60) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL1984504 0.86 ALDH1A1 (0.56) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL4238772 0.86 MAPT (0.62) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL30365378 0.86 MAPT (0.62) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL9416505 0.84 CYP19A1 (0.61) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL7573078 0.83 CYP19A1 (0.63) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL11796767 0.83 TDP1 (0.65) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL10454986 0.83 MAPT (0.56) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL13159002 0.83 GPR35 (0.53) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL2084753 0.83 HTT (0.67) MAPTALDH1A1LMNAKMT2ANPSR1

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-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US disclosed