SCHEMBL6974458

SCHEMBL6974458

COC(=O)CCc1nc(C(C)C)c(Sc2cc(F)cc(F)c2)n1Cc1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 13/20 0.38
ENPP2 Q13822 5/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL8344784 0.90 LMNA (0.38) S1PR3ENPP2ALDH1A1KDM4E
SCHEMBL6973716 0.90 HSP90AA1 (0.36) S1PR3ENPP2ALDH1A1KDM4EHPGD
SCHEMBL6973417 0.86 MAPT (0.37) ENPP2ALDH1A1KDM4EHPGDTSHR
SCHEMBL6967358 0.86 S1PR3 (0.35) S1PR3ALDH1A1KDM4E
SCHEMBL6972492 0.85 S1PR3 (0.38) S1PR3ALDH1A1KDM4E
SCHEMBL6972660 0.85 ENPP2 (0.40) ENPP2KDM4E
SCHEMBL6973222 0.85 S1PR3 (0.41) S1PR3ALDH1A1
SCHEMBL6973869 0.85 TLR7 (0.35) S1PR3ALDH1A1KDM4E
SCHEMBL6969106 0.85 HRH1 (0.36) S1PR3
SCHEMBL6973511 0.84 S1PR3 (0.36) S1PR3ALDH1A1KDM4E

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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed