SCHEMBL29170677

SCHEMBL29170677

C[N+](C)(C)CCOP(=O)(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 8/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CTSD P07339 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL917444 0.81 ALDH1A1 (0.51) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL31688384 0.81 ALDH1A1 (0.51) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL2912362 0.79 RAB9A (0.47) NPC1RAB9ARECQLALDH1A1KMT2A
Phosphoric Acid SCHEMBL5395714 0.76 RAB9A (0.60) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL27535411 0.75 AKR1C3 (0.47) ALDH1A1KMT2ASMN1; SMN2HSD17B10CYP3A4
SCHEMBL2912361 0.75 NPC1 (0.48) NPC1RAB9ARECQLALDH1A1KMT2A
Phosphocholine SCHEMBL27591425 0.74 CTSD (0.42) RAB9AALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL27977455 0.73 ALDH1A1 (0.42) NPC1RAB9ARECQLALDH1A1KMT2A
Phosphoric Acid SCHEMBL5395707 0.72 NPC1 (0.64) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL642381 0.71 KMT2A (0.39) NPC1RAB9ARECQLALDH1A1KMT2A

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-117442711-A Fusion proteins, recombinant bacteria and exosporium fragments for animal health and aquaculture 斯波根生物技术公司 2024-01-26 CN disclosed