SCHEMBL6972661

SCHEMBL6972661

Cc1cc(C)cc(Sc2nc(COC(N)=O)n(Cc3ccccc3)c2C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
LMNA P02545 1/20 0.37
S1PR3 Q99500 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL8113749 0.91 MEN1 (0.34) POLBS1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6975044 0.90 ENPP2 (0.35) POLBL3MBTL1LMNAS1PR3TSHR
SCHEMBL6966716 0.86 RAB9A (0.32) L3MBTL1LMNASMN1; SMN2
SCHEMBL6973086 0.85 PIM1 (0.36) LMNAS1PR3TSHRALDH1A1KDM4E
SCHEMBL7079152 0.85 NPC1 (0.32) LMNASMN1; SMN2
SCHEMBL7080037 0.85 POLB (0.37) POLBL3MBTL1LMNATSHRALDH1A1
SCHEMBL6973951 0.84 MEN1 (0.37) POLBLMNAS1PR3TSHRALDH1A1
SCHEMBL6962542 0.82 PIM1 (0.35) L3MBTL1LMNAS1PR3ALDH1A1KDM4E
SCHEMBL6969923 0.81 LMNA (0.36) L3MBTL1LMNASMN1; SMN2
SCHEMBL6972484 0.81 ENPP2 (0.35) POLBS1PR3ALDH1A1KDM4EKMT2A

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