SCHEMBL11433744

SCHEMBL11433744

CCCC1(C(=O)Nc2ccc([S+]([O-])CC)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
HTT P42858 2/20 0.37
CETP P11597 1/20 0.36
RAB9A P51151 6/20 0.36
MAPT P10636 7/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTR1E P28566 1/20 0.35
S1PR3 Q99500 1/20 0.35
HSPA9 P38646 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL11425879 0.82 CETP (0.38) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL11563225 0.79 MAPT (0.52) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL11439168 0.74 MEN1 (0.38) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL11567217 0.72 MAPT (0.41) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL11568228 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACETPMAPT
SCHEMBL11433796 0.70 CETP (0.39) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL11440301 0.70 MAPT (0.47) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL11567211 0.69 ALDH1A1 (0.42) LMNAALDH1A1MEN1KMT2ACETP
SCHEMBL11440605 0.68 ALDH1A1 (0.36) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL11567930 0.66 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2ARAB9A

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
US-4184867-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1980-01-22 US disclosed