SCHEMBL9710324

SCHEMBL9710324

O=[N+]([O-])c1c[c]c(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 3/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
HPGD P15428 2/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
ALOX12 P18054 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
OPRK1 P41145 1/20 0.41
RAB9A P51151 4/20 0.41
CYP19A1 P11511 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 4/20 0.40

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
Biphenyl SCHEMBL27380379 0.75 ALDH1A1 (0.75) ALDH1A1LMNAPOLBMAPK1KMT2A
SCHEMBL2935620 0.74 ALDH1A1 (0.48) ALDH1A1LMNAPOLBMAPK1KMT2A
SCHEMBL25187033 0.73 MAPK1 (0.74) ALDH1A1LMNAPOLBMAPK1KMT2A
Biphenyl SCHEMBL27846163 0.73 ALDH1A1 (0.71) ALDH1A1LMNAPOLBMAPK1KMT2A
SCHEMBL167524 0.73 MAPK1 (0.74) ALDH1A1LMNAPOLBMAPK1KMT2A
SCHEMBL5096848 0.73 ALDH1A1 (0.47) ALDH1A1LMNAPOLBMAPK1KMT2A
SCHEMBL28375748 0.71 MAPK1 (0.71) ALDH1A1LMNAPOLBMAPK1KMT2A
Water SCHEMBL4868802 0.71 MAPK1 (0.71) ALDH1A1LMNAPOLBMAPK1KMT2A
Ammonia Solution, Strong SCHEMBL9570816 0.71 MAPK1 (0.71) ALDH1A1LMNAPOLBMAPK1KMT2A
Hydrochloric Acid SCHEMBL27456794 0.71 MAPK1 (0.71) ALDH1A1LMNAPOLBMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087338-B Sulfonamide-substituted pyrrolidones derivative and preparation method thereof 常州大学 2021-03-02 CN claimed
CN-111087338-A Sulfonamide-substituted pyrrolidones derivative and preparation method thereof 常州大学 2020-05-01 CN claimed
CN-111087338-B Sulfonamide-substituted pyrrolidones derivative and preparation method thereof 常州大学 2021-03-02 CN disclosed
CN-108424377-B Method for synthesizing asymmetric azoxybenzene compound 温州大学 2021-02-19 CN disclosed
CN-111087338-A Sulfonamide-substituted pyrrolidones derivative and preparation method thereof 常州大学 2020-05-01 CN disclosed
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed
US-4110460-A ANTIINFLAMMATORY, ANALGESIC METABIO (FR) 1978-08-29 US disclosed