SCHEMBL7646940

SCHEMBL7646940

O=C(Cl)OCCc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
AKR1B1 P15121 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR35 Q9HC97 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL7644933 0.91 GPR35 (0.43) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL6233782 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL7643476 0.84 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL7644528 0.84 MAPT (0.40) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL7644539 0.80 TSHR (0.39) ALDH1A1KDM4EHPGDMAPTCYP3A4
SCHEMBL5682398 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL4309273 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL9450310 0.77 AKR1B1 (0.50) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL7784647 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL9033491 0.75 AKR1B1 (0.67) ALDH1A1KDM4EHPGDLMNAMAPT

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
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed
EP-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 WO disclosed