SCHEMBL29469269

SCHEMBL29469269

O=[N+]([O-])c1cccc(OC(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
CASP3 P42574 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
TSHR P16473 3/20 0.55
LMNA P02545 1/20 0.55
F2 P00734 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
ALDH1A1 P00352 3/20 0.47
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
HSP90AA1 P07900 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL1130974 1.00 KMT2A (0.58) KMT2AMEN1HTTTP53MAPT
SCHEMBL3278521 0.94 MEN1 (0.53) KMT2AMEN1HTTTP53MAPT
SCHEMBL27947180 0.92 KMT2A (0.52) KMT2AMEN1HTTTP53MAPT
Dinitrophenylene SCHEMBL27868275 0.90 MEN1 (0.59) KMT2AMEN1HTTTP53MAPT
SCHEMBL1242359 0.89 MEN1 (0.59) KMT2AMEN1HTTTP53MAPT
SCHEMBL15228420 0.86 TSHR (0.52) KMT2AMEN1HTTTP53MAPT
SCHEMBL10909455 0.86 TSHR (0.52) KMT2AMEN1HTTTP53MAPT
SCHEMBL12760705 0.86 NFE2L2 (0.60) KMT2AMEN1HTTTP53MAPT
SCHEMBL12760706 0.86 NFE2L2 (0.60) KMT2AMEN1HTTTP53MAPT
SCHEMBL9190260 0.85 TSHR (0.50) KMT2AMEN1HTTTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114324620-B Method for detecting p-trifluoromethoxy aniline and related impurities 鲁南制药集团股份有限公司 2024-10-11 CN claimed
CN-114324620-B Method for detecting p-trifluoromethoxy aniline and related impurities 鲁南制药集团股份有限公司 2024-10-11 CN disclosed
CN-118146102-A Method for synthesizing diaryl amine or triarylamine by using nitroaromatic hydrocarbon as raw material 广西大学 2024-06-07 CN disclosed
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
EP-4277901-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
EP-4278014-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 CN disclosed
WO-2022152822-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
WO-2022152821-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
CN-114324620-A Method for detecting p-trifluoromethoxyaniline and related impurities 鲁南制药集团股份有限公司 2022-04-12 CN disclosed