SCHEMBL5540933

SCHEMBL5540933

CCCCn1c(=O)c(C(=O)NC(C)N(C)S(C)(=O)=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
HTT P42858 3/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
UBE2N P61088 1/20 0.38
HBB P68871 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TNF P01375 2/20 0.38
NOD2 Q9HC29 2/20 0.38
NOD1 Q9Y239 2/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL5541041 0.94 CNR2 (0.42) CNR2HTTPOLBTDP1MEN1
SCHEMBL5540932 0.85 MEN1 (0.43) CNR2HTTPOLBTDP1MEN1
SCHEMBL5538489 0.83 POLB (0.45) CNR2HTTPOLBTDP1MEN1
SCHEMBL5538495 0.83 POLB (0.45) CNR2HTTPOLBTDP1MEN1
SCHEMBL5545917 0.83 POLB (0.45) CNR2HTTPOLBTDP1MEN1
SCHEMBL5540640 0.81 MEN1 (0.48) CNR2HTTPOLBTDP1MEN1
SCHEMBL5540538 0.80 CNR2 (0.46) CNR2HTTPOLBTDP1MEN1
SCHEMBL5545490 0.80 MEN1 (0.47) CNR2HTTPOLBTDP1MEN1
SCHEMBL5547431 0.79 L3MBTL1 (0.39) CNR2HTTPOLBTDP1MEN1
SCHEMBL5540681 0.79 CNR2 (0.40) CNR2HTTPOLBTDP1MEN1

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-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed