SCHEMBL28448329

SCHEMBL28448329

O=C(OOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSPB1 P04792 3/20 0.42
▸ TTR P02766 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL28448328 0.87 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8315096 0.83 MAPT (0.51) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8973738 0.75 CYP19A1 (0.57) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL708511 0.75 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8973852 0.74 CYP19A1 (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL1220299 0.73 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL29379815 0.73 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL20591951 0.72 MAPT (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL11602621 0.71 KMT2A (0.64) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL27692446 0.70 MAPT (0.42) MAPTALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484414-A 2, 4-dinitrophenol derivatives and uses thereof 南京诺瑞特医药科技有限公司 2020-08-04 — — CN disclosed
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