SCHEMBL29607172

SCHEMBL29607172

O=[N+]([O-])c1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HIF1A Q16665 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
FGFR4 P22455 1/20 0.41
MAPK1 P28482 2/20 0.40
PIN1 Q13526 3/20 0.38
EPAS1 Q99814 1/20 0.37
MAPT P10636 3/20 0.36
JAK2 O60674 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 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
SCHEMBL432831 1.00 TDP1 (0.46) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL18188343 0.81 TSHR (0.41) TDP1ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL8743905 0.79 GPR35 (0.41) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL31202669 0.79 GPR35 (0.41) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL898028 0.78 ALDH1A1 (0.42) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL29745233 0.78 ALDH1A1 (0.42) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL29004835 0.78 ALDH1A1 (0.39) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL1749639 0.77 TDP1 (0.44) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL56616 0.76 MAPT (0.50) TDP1ALDH1A1TSHRTXNRD1FGFR4
SCHEMBL29364858 0.76 MAPT (0.50) TDP1ALDH1A1TSHRTXNRD1FGFR4

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-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
CN-118290350-A Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-07-05 CN disclosed
CN-113631535-B Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders 协同医药发展有限公司 2024-04-12 CN disclosed
CN-116964055-A Pesticidal tricyclic compounds 巴斯夫欧洲公司 2023-10-27 CN disclosed
CN-114437131-A Iridium complex, nitrogen-containing tridentate ligand, and organic light-emitting diode 季昀 2022-05-06 CN disclosed