SCHEMBL9769423

SCHEMBL9769423

CCCCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
SERPINE1 P05121 1/20 0.42
MCHR1 Q99705 1/20 0.41
MAPT P10636 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CNR2 P34972 3/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL28001433 1.00 VCAM1 (0.43) VCAM1TDP1SERPINE1MCHR1MAPT
SCHEMBL16058469 0.93 TDP1 (0.49) VCAM1TDP1MAPTGAAKDM4E
SCHEMBL3193841 0.85 CNR2 (0.48) VCAM1TDP1SERPINE1MAPTCNR2
SCHEMBL3201245 0.85 CNR2 (0.48) VCAM1TDP1SERPINE1MAPTCNR2
SCHEMBL3198478 0.85 CNR2 (0.48) VCAM1TDP1SERPINE1MAPTCNR2
SCHEMBL3196045 0.85 CNR2 (0.48) VCAM1TDP1SERPINE1MAPTCNR2
SCHEMBL3193958 0.85 CNR2 (0.48) VCAM1TDP1SERPINE1MAPTCNR2
SCHEMBL3201690 0.85 CNR2 (0.48) VCAM1TDP1SERPINE1MAPTCNR2
SCHEMBL3200608 0.83 VCAM1 (0.49) VCAM1TDP1SERPINE1MAPTCNR2
SCHEMBL4663012 0.83 TDP1 (0.62) VCAM1TDP1SERPINE1MCHR1MAPT

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-5049474-A Color light-sensitive material FUJI PHOTO FILM CO., LTD (JP) 1991-09-17 US disclosed