SCHEMBL9876455

SCHEMBL9876455

CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1c(C)ccc(-n2oc(C(C)(C)C)c(CCl)c2=O)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.32
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
BRD4 O60885 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 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
SCHEMBL9876854 1.00 HTT (0.32) HTTLMNAMAPK1MEN1TSHR
SCHEMBL9876665 0.86 NCOA1 (0.31) HTTLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9877541 0.82 ALDH1A1 (0.38) LMNAMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL9876484 0.82 MAPT (0.34) HTTLMNAMAPK1MEN1TSHR
SCHEMBL9771372 0.82 MAPT (0.34) HTTLMNAMAPK1MEN1TSHR
SCHEMBL4747454 0.59 FABP4 (0.66) HTTLMNAMAPK1MEN1TSHR
SCHEMBL10571075 0.59 ALDH1A1 (0.61) HTTLMNAMAPK1MEN1KMT2A
SCHEMBL14572312 0.59 RECQL (0.62) HTTLMNAMEN1TSHRKMT2A
SCHEMBL14572299 0.59 RECQL (0.62) HTTLMNAMEN1TSHRKMT2A
SCHEMBL25682870 0.59 RECQL (0.62) HTTLMNAMEN1TSHRKMT2A

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-5049477-A Image forming, etching, plating FUJI PHOTO FILM CO., LTD. (JP) 1991-09-17 US disclosed