SCHEMBL28859293

SCHEMBL28859293

O=[N+]([O-])c1ccccc1CCO.O=[N+]([O-])c1ncccc1CCO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
MET P08581 1/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.43
PDE10A Q9Y233 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3167072 0.92 KMT2A (0.41) ALDH1A1TSHRMETKMT2AMEN1
SCHEMBL29903448 0.92 KMT2A (0.41) ALDH1A1TSHRMETKMT2AMEN1
SCHEMBL249846 0.84 ALDH1A1 (0.68) ALDH1A1TSHRKMT2AMEN1RAB9A
Nitric Acid SCHEMBL9873962 0.81 ALDH1A1 (0.63) ALDH1A1TSHRKMT2AMEN1RAB9A
SCHEMBL5117671 0.79 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AMEN1POLB
SCHEMBL1735333 0.77 MAPT (0.50) ALDH1A1KMT2AMEN1KDM4ERAB9A
SCHEMBL27873051 0.76 KMT2A (0.41) ALDH1A1TSHRMETKMT2AMEN1
SCHEMBL6369459 0.76 PDE10A (0.49) ALDH1A1TSHRMETKMT2AMEN1
SCHEMBL294121 0.75 PDE10A (0.58) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL29579675 0.75 PDE10A (0.58) ALDH1A1KMT2AMEN1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043770-A Photoinduction synthesis method of indole/azaindole compound 南京大学 2022-09-13 CN disclosed