SCHEMBL10601066

SCHEMBL10601066

O=[N+]([O-])c1cc(NCCCO)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 7/20 0.50
GPR35 Q9HC97 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
GSTM2 P28161 1/20 0.43

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
SCHEMBL23789 0.91 ALDH1A1 (0.53) ALDH1A1MAPTGPR35KDM4EMAPK1
SCHEMBL3514310 0.82 MAPT (0.52) ALDH1A1MAPTGPR35KDM4EMAPK1
SCHEMBL23456361 0.81 PKM (0.53) ALDH1A1MAPTGPR35KDM4EMAPK1
SCHEMBL6233037 0.81 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL4553218 0.80 ALDH1A1 (0.54) ALDH1A1MAPTGPR35KDM4EMAPK1
SCHEMBL453875 0.80 GPR35 (0.56) ALDH1A1MAPTGPR35KDM4EMAPK1
SCHEMBL10600910 0.77 GLA (0.48) ALDH1A1MAPTGPR35KDM4EMAPK1
SCHEMBL14364287 0.75 MAPT (0.60) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL4807504 0.75 GPR35 (0.53) ALDH1A1MAPTGPR35KMT2AMEN1
SCHEMBL14944070 0.75 MAPT (0.49) ALDH1A1MAPTGPR35KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151400-B1 HAIR DYEING COMPOSITIONS WITH PICRAMIC ACID DERIVATIVES, NEW PICRAMIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME Wella Aktiengesellschaft (DE) 1989-05-24 EP claimed
EP-0151400-A2 Hair dyeing compositions with picramic acid derivatives, new picramic acid derivatives and process for preparing same Wella Aktiengesellschaft (DE) 1985-08-14 EP claimed
WO-1985003222-A1 HAIR COLORANT WITH PICRAMIC ACID DERIVATIVES, NEW PICRAMIC ACID DERIVATIVES AND PRODUCTION PROCESS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 1985-08-01 WO claimed
EP-0151400-B1 HAIR DYEING COMPOSITIONS WITH PICRAMIC ACID DERIVATIVES, NEW PICRAMIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME Wella Aktiengesellschaft (DE) 1989-05-24 EP disclosed
EP-0151400-A2 Hair dyeing compositions with picramic acid derivatives, new picramic acid derivatives and process for preparing same Wella Aktiengesellschaft (DE) 1985-08-14 EP disclosed