SCHEMBL28059965

SCHEMBL28059965

O=[N+]([O-])C1([N+](=O)[O-])C=CC=CC1.c1ccc(SSc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PDE7A Q13946 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27801237 0.81
Ethane SCHEMBL27535133 0.77
Methoxymethane SCHEMBL27864187 0.74
SCHEMBL10522261 0.69 ALDH1A1 (0.32) ALDH1A1LMNA
Propanol SCHEMBL27890128 0.69
SCHEMBL10343031 0.68 ALDH1A1 (0.33) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL8729226 0.66 ALDH1A1 (0.62) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL3411381 0.66 MAPT (0.50) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL30359247 0.65 MAPT (0.30) MAPTHPGDSMN1; SMN2MGLLHSD17B10
Hydrochloric Acid SCHEMBL8378829 0.65 MEN1 (0.30) MEN1CYP2C19KMT2A

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-105481735-A Method for preparing aniline-2-sulfonic acid SHENYANG RES INST CHEMICAL IND CO LTD 2016-04-13 CN disclosed