SCHEMBL27616736

SCHEMBL27616736

CC(=O)c1ccc(C(=O)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.79
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ MAOB P27338 1/20 0.59
▸ POLB P06746 2/20 0.55
▸ CES1 P23141 1/20 0.55
▸ PTPN2 P17706 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ ATM Q13315 1/20 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
SCHEMBL254773 0.91 CES1 (0.65) MAPK1KMT2AMEN1LMNAMAPT
Methylamine SCHEMBL29169653 0.89 TSHR (0.60) MAPK1KMT2AMEN1LMNAMAPT
SCHEMBL27765 0.89 MAPK1 (1.00) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5389258 0.87 MAPK1 (0.63) MAPK1KMT2AMEN1SMN1; SMN2NPC1
Methyl Alcohol SCHEMBL28098714 0.87 MAPK1 (0.96) MAPK1KMT2AMEN1SMN1; SMN2NPC1
Bromide SCHEMBL8031021 0.87 MAPK1 (0.96) MAPK1KMT2AMEN1SMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL17180526 0.87 MAPK1 (0.96) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL12275941 0.86 ACHE (0.64) MAPK1KMT2AMEN1SMN1; SMN2NPC1
Acetic Acid SCHEMBL28719519 0.85 MAPK1 (0.92) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6986709 0.85 KMT2A (0.72) MAPK1KMT2AMEN1SMN1; SMN2NPC1

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-1724597-A Phase change inks XEROX CORP (US) 2006-01-25 — — CN disclosed
Send feedback