SCHEMBL6971733

SCHEMBL6971733

CC(C)c1nc(/C=N/O)n(Cc2ccccn2)c1Sc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
PPP1CA P62136 1/20 0.34
TP53 P04637 3/20 0.33
AGTR1 P30556 1/20 0.32
MEN1 O00255 3/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
ADRA1D P25100 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL6971738 1.00 GRM5 (0.35) GRM5GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL6969157 0.93 ADRA1D (0.32) ALDH1A1KMT2AKDM4EMAPTTP53
SCHEMBL6969160 0.93 ADRA1D (0.32) ALDH1A1KMT2AKDM4EMAPTTP53
SCHEMBL7085318 0.90 ALDH1A1 (0.34) ALDH1A1KDM4ETP53LMNAHTT
SCHEMBL7085317 0.90 ALDH1A1 (0.34) ALDH1A1KDM4ETP53LMNAHTT
SCHEMBL6969251 0.89 GRIN1 (0.38) GRIN1GRIN2BALDH1A1KMT2AMAPT
SCHEMBL6969252 0.89 GRIN1 (0.38) GRIN1GRIN2BALDH1A1KMT2AMAPT
SCHEMBL6973903 0.88 GRIN1 (0.38) GRM5GRIN1GRIN2BALDH1A1KMT2A
SCHEMBL6960641 0.86 IDO1 (0.36) ALDH1A1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL6960647 0.86 IDO1 (0.36) ALDH1A1KMT2AKDM4EL3MBTL1MAPT

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 3 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