SCHEMBL434822

SCHEMBL434822

O=C(NI)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
TP53 P04637 1/20 0.64
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.62
BLM P54132 1/20 0.62
ALDH1A1 P00352 5/20 0.62
TSHR P16473 2/20 0.62
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
THRA P10827 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL11060904 0.86 KMT2A (0.73) KMT2AMEN1CES2CES1TP53
SCHEMBL29508878 0.84 KMT2A (0.71) KMT2AMEN1CES2CES1TP53
SCHEMBL297043 0.84 KMT2A (0.71) KMT2AMEN1CES2CES1TP53
SCHEMBL13168473 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL10355 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
Hydrochloric Acid SCHEMBL2045145 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL6959553 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL432613 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL4494074 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL29282736 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53

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
EP-3654958-A1 METHODS OF PATIENT SELECTION AND TREATING TRXR- OR PRDX-OVEREXPRESSED CANCERS Triact Therapeutics, Inc. (US) 2020-05-27 EP disclosed
WO-2018237344-A1 METHODS OF PATIENT SELECTION AND TREATING TRXR- OR PRDX-OVEREXPRESSED CANCERS TRIACT THERAPEUTICS, INC. (US) 2018-12-27 WO disclosed
CN-103169973-A Treatment of breast cancer with iodonitrobenzamides in combination with anti-tumor agents BIPAR SCIENCES INC 2013-06-26 CN disclosed
EP-2595619-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN BiPar Sciences, Inc. (US) 2013-05-29 EP disclosed
WO-2012012454-A1 METHODS OF TREATING METASTATIC BREAST CANCER WITH 4-IODO-3-NITROBENZAMIDE AND IRINOTECAN BIPAR SCIENCES, INC. (US) 2012-01-26 WO disclosed
EP-2059498-A2 TREATMENT OF CANCER Bipar Sciences, Inc. (US) 2009-05-20 EP disclosed
WO-2008030883-A2 TREATMENT OF CANCER BIPAR SCIENCES, INC. (US) 2008-03-13 WO disclosed