SCHEMBL6963992

SCHEMBL6963992

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE4D Q08499 1/20 0.36
PDE4A P27815 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GNRHR P30968 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL6962639 0.92 RXFP1 (0.37) MAPTALDH1A1POLBLMNAHPGD
SCHEMBL6969486 0.91 LMNA (0.37) MAPTALDH1A1PKMPDE4BPDE4D
SCHEMBL6972974 0.88 IRAK4 (0.35) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL6968230 0.88 PDE4A (0.36) MAPTALDH1A1PDE4BPDE4DPDE4A
SCHEMBL6961267 0.88 ALDH1A1 (0.34) MAPTALDH1A1PDE4BPDE4DLMNA
SCHEMBL7087594 0.88 CFTR (0.39) MAPTALDH1A1PKMPOLBLMNA
SCHEMBL6967842 0.87 ENPP2 (0.33) LMNA
SCHEMBL6968937 0.86 MAPT (0.32) MAPTALDH1A1POLB
SCHEMBL7084684 0.86 MAPT (0.39) MAPTALDH1A1PKMPDE4BPDE4D
SCHEMBL6969719 0.86 ALDH1A1 (0.35) MAPTALDH1A1LMNAHPGDKMT2A

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