SCHEMBL9587792

SCHEMBL9587792

Cc1cc(=O)n(-c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])o1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
ALDH1A1 P00352 6/20 0.51
VCAM1 P19320 6/20 0.51
POLB P06746 2/20 0.51
PKM P14618 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 7/20 0.46
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9769690 0.85 HTT (0.55) HTTALDH1A1VCAM1POLBPKM
SCHEMBL10467384 0.83 VCAM1 (0.57) HTTALDH1A1VCAM1POLBKMT2A
SCHEMBL9769722 0.75 GAA (0.57) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9769684 0.74 HTT (0.47) HTTALDH1A1VCAM1POLBPKM
SCHEMBL9769695 0.73 VCAM1 (0.51) HTTALDH1A1VCAM1MEN1KMT2A
SCHEMBL994159 0.72 ALDH1A1 (0.69) HTTALDH1A1VCAM1POLBPKM
SCHEMBL11410923 0.69 ALDH1A1 (0.63) HTTALDH1A1VCAM1POLBPKM
SCHEMBL11651298 0.68 ALDH1A1 (0.67) HTTALDH1A1VCAM1POLBPKM
SCHEMBL6215796 0.68 VCAM1 (1.00) HTTALDH1A1VCAM1POLBPKM
SCHEMBL5766439 0.68 ALDH1A1 (1.00) HTTALDH1A1VCAM1POLBPKM

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-5221750-A Chemical intermediate for positive working compound in silver halide emulsion photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-06-22 US disclosed