SCHEMBL29005663

SCHEMBL29005663

COCc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
VCAM1 P19320 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE7A Q13946 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
S1PR4 O95977 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE7B Q9NP56 1/20 0.42
KIF18A Q8NI77 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
SCHEMBL863252 0.87 TSHR (0.53) LMNAMAPK1TSHRALDH1A1PKM
SCHEMBL28394155 0.86 MAPK1 (0.52) LMNAMAPK1TSHRALDH1A1VCAM1
SCHEMBL29548273 0.83 IDO1 (0.56) LMNAMAPK1TSHRALDH1A1VCAM1
SCHEMBL8842590 0.83 MAPK1 (0.45) LMNAMAPK1TSHRALDH1A1PKM
SCHEMBL15716419 0.83 S1PR4 (0.48) LMNAMAPK1TSHRALDH1A1PKM
SCHEMBL357928 0.82 PDK1 (0.55) LMNAMAPK1TSHRALDH1A1VCAM1
SCHEMBL27627585 0.81 PKM (0.46) LMNAMAPK1TSHRALDH1A1PKM
SCHEMBL358915 0.81 ACLY (0.46) LMNAMAPK1TSHRALDH1A1PKM
SCHEMBL30209222 0.81 SNCA (0.41) LMNAALDH1A1PKMTDP1SMN1; SMN2
SCHEMBL18579528 0.81 TSHR (0.56) LMNAMAPK1TSHRALDH1A1MAPT

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-114967324-A Diamine compound, resin prepared from same, photosensitive resin composition and application 北京鼎材科技有限公司 2022-08-30 CN disclosed