SCHEMBL8975477

SCHEMBL8975477

O=[N+]([O-])N(CC(O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
TLR9 Q9NR96 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSR P00390 1/20 0.36
CPA1 P15085 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6282927 0.77 ALDH1A1 (0.47) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL9276004 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL147785 0.74 ALDH1A1 (0.43) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL9541990 0.74 ALDH1A1 (0.41) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL8331506 0.74 ALDH1A1 (0.41) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL11032368 0.74 ALDH1A1 (0.48) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL28087293 0.74 ALDH1A1 (0.44) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL162872 0.74 ALDH1A1 (0.48) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL28066839 0.73 ALDH1A1 (0.40) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL14797559 0.73 GSR (0.32) ALDH1A1KMT2ACRHBPCRHR2ATM

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-0398620-B1 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RES CORP (US) 1996-04-17 EP disclosed
EP-0398620-A2 Poly(oxyalkylene) modified phthalocyanine colorants MILLIKEN RESEARCH CORPORATION (US) 1990-11-22 EP disclosed