SCHEMBL9435801

SCHEMBL9435801

CCCCCS(=O)(=O)N(C(N)=O)c1ccc(Cc2ccc(N(C(N)=O)S(=O)(=O)CCCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.45
CA2 P00918 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GRM2 Q14416 1/20 0.36
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BMP1 P13497 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL9285401 0.92 CNR2 (0.43) CNR2CA2MAPK1HDAC1
SCHEMBL6462900 0.89 GRM2 (0.40) CNR2CA2HPGDLMNAGRM2
SCHEMBL6464097 0.82 TDP1 (0.40) CA2HPGDHSD17B10ALDH1A1CYP3A4
SCHEMBL8626825 0.79 ALDH1A1 (0.42) CA2HPGDLMNAALDH1A1CYP3A4
SCHEMBL9285396 0.79 CYP3A4 (0.37) CNR2LMNAALDH1A1CYP3A4TSHR
SCHEMBL6466087 0.77 KMT2A (0.41) LMNAALDH1A1
SCHEMBL10575717 0.75 NPC1 (0.44) CNR2ALDH1A1TSHRTDP1
SCHEMBL6466688 0.75 LMNA (0.43) LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6463099 0.75 HSP90AA1 (0.49) CNR2CA2HPGDLMNAGRM2
SCHEMBL11034760 0.75 TSHR (0.34) CNR2CA2HPGDLMNAHSD17B10

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
JP-6345721-A None JP disclosed
JP-H06345721-A 44'-BIS(ARYLSULFONYLAMINOCARBONYLAMINO)-DIPHENYLMETHANE COMPOUNDS NEW OJI PAPER CO LTD 1994-12-20 JP disclosed