SCHEMBL8440417

SCHEMBL8440417

O=Cc1ccccc1-c1cc([N+](=O)[O-])ccc1N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
PAX8 Q06710 1/20 0.50
MAPT P10636 4/20 0.48
SLC6A5 Q9Y345 3/20 0.48
KMT2A Q03164 2/20 0.48
SLC6A9 P48067 1/20 0.48
CTSB P07858 1/20 0.47
IDE P14735 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
MAPK1 P28482 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
SCHEMBL8440618 0.86 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL1475607 0.83 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2PAX8MAPT
SCHEMBL15956268 0.81 ALDH1A1 (0.80) ALDH1A1LMNASMN1; SMN2PAX8MAPT
SCHEMBL24629449 0.75 ALDH1A1 (0.78) ALDH1A1LMNASMN1; SMN2PAX8MAPT
SCHEMBL29937693 0.74 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2MAPTSLC6A5
SCHEMBL7800482 0.74 GAA (0.72) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL2103553 0.74 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2MAPTSLC6A5
SCHEMBL34475293 0.73 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2PAX8MAPT
SCHEMBL6506814 0.73 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2PAX8MAPT
SCHEMBL2390332 0.73 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2MAPTSLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11080141-A None JP disclosed
JP-11079998-A None JP disclosed
JP-H1180141-A DIPHENYL COMPOUND DAI ICHI SEIYAKU CO LTD 1999-03-26 JP disclosed
JP-H1179998-A ANTITUMOR AGENT DAI ICHI SEIYAKU CO LTD 1999-03-23 JP disclosed