SCHEMBL7078779

SCHEMBL7078779

CC(C)c1nc(CN=C(N)N)n(Cc2cccnc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.35
SRC P12931 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
GABRA5 P31644 3/20 0.34
GABRA1 P14867 2/20 0.34
TLR7 Q9NYK1 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
CACNA1I Q9P0X4 1/20 0.33
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 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
SCHEMBL6962312 0.93 HTR3E (0.40) ADRA1DSRCHTR3EHTR3BHTR3A
SCHEMBL6960591 0.89 PIM1 (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7081093 0.89 GRIN1 (0.37) SRCTLR7HPGDPKM
SCHEMBL6973652 0.89 SRC (0.37) ADRA1DSRCGABRA5GABRA1TLR7
SCHEMBL6957238 0.89 GABRA5 (0.36) ADRA1DSRCGABRA5GABRA1TLR7
SCHEMBL6969489 0.89 ALDH1A1 (0.37) SRCTLR7ALDH1A1HPGDPOLB
SCHEMBL7087528 0.87 SRC (0.35) ADRA1DSRCGABRA5GABRA1TLR7
SCHEMBL7082568 0.87 CHRNA7 (0.37) ADRA1DSRCGABRA5GABRA1TLR7
SCHEMBL6972772 0.86 RECQL (0.44) ADRA1DALDH1A1HPGDCACNA1IKMT2A
SCHEMBL6957033 0.86 ADRA1D (0.37) ADRA1DGABRA5GABRA1TLR7ALDH1A1

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