SCHEMBL6622342

SCHEMBL6622342

O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 4/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL6610295 0.88 ALDH1A1 (0.53) S1PR4LMNARAB9AALDH1A1CYP2D6
SCHEMBL11887706 0.86 NPSR1 (0.62) ALDH1A1CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL6611414 0.82 MAPT (0.61) LMNAALDH1A1MEN1KMT2APKM
SCHEMBL15657202 0.79 ALDH1A1 (0.52) S1PR4LMNARAB9AALDH1A1CYP2D6
SCHEMBL27539931 0.77 ALDH1A1 (0.51) ALDH1A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL28343309 0.73 MEN1 (0.52) S1PR4LMNARAB9AALDH1A1CYP2D6
SCHEMBL15660216 0.73 ALDH1A1 (0.60) LMNAALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL7055735 0.72 CES2 (0.54) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL1418030 0.72 CES2 (0.54) LMNAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL15677251 0.72 MEN1 (0.74) LMNARAB9AALDH1A1CYP2D6CYP2C9

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
EP-1114815-B1 Process to prepare taxol UPJOHN CO (US) 2004-09-29 EP claimed