SCHEMBL10468618

SCHEMBL10468618

CCCCN(CCCC)S(=O)(=O)c1ccc(-n2oc(C)c(CCl)c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.56
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 5/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BDKRB2 P30411 1/20 0.37
BDKRB1 P46663 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
SCHEMBL10467384 0.82 VCAM1 (0.57) VCAM1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13871665 0.79 VCAM1 (0.47) VCAM1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9769701 0.78 VCAM1 (0.50) VCAM1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9769756 0.75 TSHR (0.48) LMNATSHRKMT2A
SCHEMBL9769684 0.73 HTT (0.47) VCAM1ALDH1A1MAPTKDM4EPOLB
SCHEMBL9769696 0.73 GAA (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL10468337 0.73 VCAM1 (1.00) VCAM1ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL10470481 0.68 HTT (0.35) VCAM1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL9769695 0.67 VCAM1 (0.51) VCAM1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9796228 0.67 VCAM1 (0.72) VCAM1ALDH1A1MAPTLMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4950764-A HERBICIDES, BACTERICIDES, ANALGESICS, ANTIINFLAMMATORY AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-08-21 US disclosed
US-4877720-A PHOTOGRAPHIC POLYMER WHICH UNDERGOES REDUCTION UPON DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1989-10-31 US disclosed