SCHEMBL30106402

SCHEMBL30106402

NP(=O)(O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
CTSD P07339 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ESR2 Q92731 1/20 0.42
GBA1 P04062 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
GPR35 Q9HC97 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
SCHEMBL2474284 0.86 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL36925 0.86 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL30679480 0.86 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL36926 0.86 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL2474283 0.86 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL23647344 0.84 ALDH1A1 (0.55) ALDH1A1TDP1NPC1RAB9ARECQL
Phosphoric Acid SCHEMBL8469920 0.84 ALDH1A1 (0.55) ALDH1A1TDP1NPC1RAB9ARECQL
Hydrochloric Acid SCHEMBL9614410 0.84 ALDH1A1 (0.55) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL17847437 0.84 HPGD (0.43) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL4777080 0.83 ALDH1A1 (0.50) ALDH1A1TDP1NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023201072-A1 NOVEL 6-AZAURIDINE COMPOUNDS AS BROAD SPECTRUM ANTIVIRAL AGENTS CRESTONE, INC. (US) 2023-10-19 WO disclosed
WO-2022256490-A9 IMPROVED SYNTHESIS OF PHOSPHORAMIDATES FOR THE TREATMENT OF HEPATITIS B VIRUS Antios Therapeutics, Inc. (US) 2023-08-17 WO disclosed
WO-2022256490-A2 IMPROVED SYNTHESIS OF PHOSPHORAMIDATES FOR THE TREATMENT OF HEPATITIS B VIRUS Antios Therapeutics, Inc. (US) 2022-12-08 WO disclosed