SCHEMBL9019213

SCHEMBL9019213

O=[N+]([O-])P(=O)(Cl)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CPA1 P15085 3/20 0.36
GSR P00390 1/20 0.36
TXNRD1 Q16881 1/20 0.36
HSPD1 P10809 1/20 0.36

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
SCHEMBL7815710 0.81 TSHR (0.46) HPGDCYP2C19CYP1A2ALDH1A1CYP2D6
SCHEMBL6863306 0.76 HPGD (0.48) HPGDMEN1KMT2ACYP2C19CYP1A2
SCHEMBL2150764 0.73 HPGD (0.54) HPGDMEN1KMT2ACYP2C19CYP3A4
SCHEMBL73500 0.73 HPGD (0.54) HPGDMEN1KMT2ACYP2C19CYP3A4
SCHEMBL27529436 0.72 TSHR (0.52) MEN1KMT2ACYP2C19CYP1A2ALDH1A1
Benzylphosphonic Acid SCHEMBL11488048 0.72 HPGD (0.52) HPGDMEN1KMT2ACYP2C19CYP1A2
SCHEMBL27558419 0.72 HPGD (0.52) HPGDMEN1KMT2ACYP2C19CYP3A4
SCHEMBL11441029 0.69 CYP1A2 (0.64) MEN1KMT2ACYP2C19CYP1A2ALDH1A1
Carbon Tetrachloride SCHEMBL7263805 0.68 HPGD (0.48) HPGDMEN1KMT2ACYP2C19CYP3A4
SCHEMBL14246552 0.68 NPC1 (0.42) HPGDALDH1A1LMNAMAPTHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563129-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-08 US disclosed
US-5534639-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-09 US disclosed
US-5436359-A Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-07-25 US disclosed
EP-0560568-A2 Hydroquinone derivatives and intermediates for production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
CN-1014409-B Process for producing ascorbic acid derivative TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-10-23 CN disclosed
CN-86103398-A Produce the method for ascorbic acid derivates 1986-12-03 CN disclosed
EP-0075895-A2 Pharmaceutical amides, and preparation, formulations and use thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-06 EP disclosed