SCHEMBL9814655

SCHEMBL9814655

N#Cc1cc(/C=C/c2ccc(N(CCCO)CCCO)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
SNCA P37840 4/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL9798663 1.00 ALDH1A1 (0.38) ALDH1A1TDP1TSHRSNCAGAA
SCHEMBL9870461 0.91 ALDH1A1 (0.36) ALDH1A1TDP1TSHRSNCAGAA
SCHEMBL9799194 0.89 ALDH1A1 (0.40) ALDH1A1SNCAHTTLMNAMAPT
SCHEMBL9799268 0.88 ALDH1A1 (0.40) ALDH1A1SNCAHTTLMNAMAPT
SCHEMBL9798868 0.87 ALDH1A1 (0.39) ALDH1A1SNCAHTTLMNAMAPT
SCHEMBL9798779 0.87 ALDH1A1 (0.39) ALDH1A1SNCAHTTLMNAMAPT
SCHEMBL9798908 0.87 ALDH1A1 (0.39) ALDH1A1SNCAHTTLMNAMAPT
SCHEMBL9798337 0.87 ALDH1A1 (0.39) ALDH1A1SNCAHTTLMNAMAPT
SCHEMBL9798482 0.87 ALDH1A1 (0.39) ALDH1A1SNCAHTTLMNAMAPT
SCHEMBL9799273 0.87 ALDH1A1 (0.39) ALDH1A1SNCAHTTLMNAMAPT

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
EP-0438557-A1 NON-LINEAR OPTICALLY ACTIVE POLYIMIDES MERCK PATENT GmbH (DE) 1991-07-31 EP disclosed
WO-1991003001-A1 NON-LINEAR OPTICALLY ACTIVE POLYIMIDES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed