SCHEMBL29544409

SCHEMBL29544409

NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 6/20 0.62
LMNA P02545 1/20 0.62
CES2 O00748 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
POLB P06746 3/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 3/20 0.56
GPR35 Q9HC97 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 1/20 0.54
HIF1A Q16665 1/20 0.52
CYP1A2 P05177 2/20 0.51
MEN1 O00255 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL3803922 1.00 KMT2A (0.67) KMT2AALDH1A1LMNACES2TDP1
Ethylenediamine SCHEMBL5494205 0.93 KMT2A (0.59) KMT2AALDH1A1LMNACES2TDP1
SCHEMBL45190 0.85 ALDH1A1 (0.62) KMT2AALDH1A1LMNATDP1POLB
SCHEMBL6398309 0.85 KMT2A (0.71) KMT2AALDH1A1LMNATDP1POLB
SCHEMBL5341177 0.85 CES2 (0.63) KMT2AALDH1A1CES2TDP1POLB
SCHEMBL11427017 0.84 CES2 (0.58) KMT2AALDH1A1LMNACES2TDP1
SCHEMBL503450 0.83 CES2 (0.66) KMT2AALDH1A1CES2TDP1POLB
Hydrochloric Acid SCHEMBL29079546 0.83 KMT2A (0.69) KMT2AALDH1A1LMNATDP1POLB
SCHEMBL9692669 0.83 CES2 (0.61) KMT2AALDH1A1CES2TDP1POLB
Methane SCHEMBL28308571 0.83 KMT2A (0.69) KMT2AALDH1A1LMNATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022076756-A1 RECOMBINANT VIRUSES, SURFACE-ENGINEERED DELIVERY SYSTEMS AND RELATED METHODS DEVACELL, INC. (US) 2022-04-14 WO claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
EP-4090384-A1 CHANGING EYE COLOR BY GENE TRANSDUCTION Hill, James, W. (US) 2022-11-23 EP disclosed
WO-2022109503-A1 RECOMBINANT ONCOLYTIC VIRUSES, SURFACE-ENGINEERED DELIVERY SYSTEMS AND RELATED METHODS DEVACELL, INC. (US) 2022-05-27 WO disclosed
WO-2022076756-A1 RECOMBINANT VIRUSES, SURFACE-ENGINEERED DELIVERY SYSTEMS AND RELATED METHODS DEVACELL, INC. (US) 2022-04-14 WO disclosed