SCHEMBL29130445

SCHEMBL29130445

O=c1nc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ TSHR P16473 1/20 0.68
▸ IDO1 P14902 3/20 0.59
▸ MMP2 P08253 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ TNKS O95271 3/20 0.52
▸ TNKS2 Q9H2K2 3/20 0.52
▸ GUSB P08236 1/20 0.52
▸ NLRP3 Q96P20 1/20 0.52
▸ PARP2 Q9UGN5 1/20 0.52
▸ CTSV O60911 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8621648 0.86 KDM4E (0.89) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL11543395 0.83 MAPT (0.67) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL17367227 0.82 KDM4E (0.93) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL4142958 0.81 KDM4E (1.00) KDM4EHSD17B10HPGDALDH1A1TSHR
Lithium SCHEMBL30669498 0.80 KDM4E (0.96) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL4094165 0.79 KDM4E (0.76) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL6329236 0.79 KDM4E (0.76) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL20380220 0.79 HPGD (0.68) KDM4EHPGDALDH1A1IDO1MMP2
SCHEMBL28022669 0.77 HSD17B10 (0.78) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL15775355 0.77 MMP2 (0.68) HPGDALDH1A1IDO1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117169175-A Method for detecting surface components of lithium metal negative electrode 清华大学 2023-12-05 — — CN claimed
CN-117169175-A Method for detecting surface components of lithium metal negative electrode 清华大学 2023-12-05 — — CN disclosed
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