SCHEMBL30014239

SCHEMBL30014239

O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2CCCS(=O)(=O)O.[Na]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ POLB P06746 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ NT5E P21589 1/20 0.41
▸ F2R P25116 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ F2RL3 Q96RI0 1/20 0.40
▸ NOX4 Q9NPH5 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL28922224 0.97 MAPT (0.56) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL20487160 0.85 MAPT (0.54) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL3039635 0.76 MAPT (0.59) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL20486800 0.76 SIGMAR1 (0.45) MAPTSIGMAR1MEN1KMT2ANT5E
SCHEMBL30013273 0.75 MAPT (0.66) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL12608625 0.75 MAPT (0.56) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL12608627 0.75 MAPT (0.56) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL2845563 0.74 MAPT (0.65) MAPTPOLBATMSIGMAR1MEN1
SCHEMBL28338514 0.74 SIGMAR1 (0.44) MAPTSIGMAR1MEN1KMT2ANT5E
SCHEMBL12608628 0.74 SIGMAR1 (0.60) MAPTPOLBATMSIGMAR1MEN1

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-110573240-B Selectively permeable graphene oxide membranes 日东电工株式会社 2022-11-22 — — CN disclosed
Send feedback