SCHEMBL10470481

SCHEMBL10470481

CC(C)(C)c1on(-c2ccc(S(=O)(=O)CCO)cc2[N+](=O)[O-])c(=O)c1CCl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
CNR2 P34972 1/20 0.34
POLB P06746 3/20 0.33
VCAM1 P19320 1/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL9769684 0.84 HTT (0.47) HTTPOLBVCAM1MAPTALDH1A1
SCHEMBL9769701 0.82 VCAM1 (0.50) HTTVCAM1MAPTALDH1A1LMNA
SCHEMBL9769718 0.81 KMT2A (0.43) LMNA
SCHEMBL6932969 0.73 ALDH1A1 (0.55) POLBMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9574410 0.70 CA2 (0.49) POLBVCAM1MAPTALDH1A1NPSR1
SCHEMBL9769686 0.69 CA1 (0.32) HTT
SCHEMBL10468618 0.68 VCAM1 (0.56) HTTPOLBVCAM1MAPTALDH1A1
SCHEMBL9769756 0.68 TSHR (0.48) LMNA
SCHEMBL9404105 0.67 VCAM1 (0.63) VCAM1ALDH1A1
SCHEMBL9769696 0.65 GAA (0.55) MAPTALDH1A1LMNASMN1; SMN2GAA

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-4921785-A Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-05-01 US disclosed