SCHEMBL6969486

SCHEMBL6969486

CNC(=O)OCc1nc(C(C)C)c(Sc2cccc([N+](=O)[O-])c2)n1Cc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE4B Q07343 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PDE4A P27815 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL6974914 0.91 RXFP1 (0.39) LMNAHPGDATMPOLBMAPT
SCHEMBL6963992 0.91 MAPT (0.37) LMNAHPGDATMPDE4DPDE4B
SCHEMBL6968230 0.90 PDE4A (0.36) LMNAHPGDATMPDE4DPDE4B
SCHEMBL7084851 0.88 P2RX3 (0.35) LMNAPDE4DPOLBKMT2ARXFP1
SCHEMBL7081406 0.88 IRAK4 (0.37) LMNAPDE4DPDE4BMAPTKMT2A
SCHEMBL6967603 0.88 ENPP2 (0.40) LMNAMAPTCYP2D6CYP2C9CYP2C19
SCHEMBL7082873 0.87 CFTR (0.40) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL6974505 0.87 TOP2A (0.42) POLBALDH1A1ENPP2
SCHEMBL7084684 0.87 MAPT (0.39) LMNAHPGDATMPDE4DPDE4B
SCHEMBL6963024 0.86 PDE4A (0.39) LMNAHPGDATMPDE4DPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed