SCHEMBL29154707

SCHEMBL29154707

CC(=O)Nc1cc[n+]([O-])c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 3/20 0.43
BRD4 O60885 1/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
ACHE P22303 1/20 0.39
CASP6 P55212 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL2206526 0.78 MITF (0.35) MAPT
Hydrochloric Acid SCHEMBL31238197 0.76 MITF (0.34) MAPT
SCHEMBL15193690 0.75 MITF (0.31) KDM4EMAPTGAA
SCHEMBL2833315 0.74 RAB9A (0.38) ALDH1A1KMT2AHPGDBRD4MEN1
SCHEMBL10647924 0.74 MAPT (0.38) ALDH1A1MAPTACHEMAOA
SCHEMBL8801657 0.71 ALDH1A1 (0.43) RXFP1PKMALDH1A1KMT2AHPGD
SCHEMBL7521847 0.71 CSNK2A2 (0.53) RXFP1PKMALDH1A1KMT2AHPGD
SCHEMBL1900214 0.70 RXFP1 (0.66) RXFP1PKMALDH1A1KMT2AHPGD
Hydrochloric Acid SCHEMBL7238572 0.70 CSNK2A2 (0.55) RXFP1PKMALDH1A1KMT2AHPGD
SCHEMBL3194423 0.69 NR4A1 (0.46) PKMALDH1A1KMT2AHPGDMEN1

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-117503688-A Hydrogel with adhesion and lipophilicity as well as preparation method and application thereof 四川大学 2024-02-06 CN disclosed