SCHEMBL6965584

SCHEMBL6965584

CCn1c(CCl)nc(C(C)C)c1Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PKM P14618 1/20 0.30
GCGR P47871 1/20 0.30

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
SCHEMBL8109447 0.88 MEN1 (0.34) MEN1KMT2ASMN1; SMN2SLC6A4LMNA
SCHEMBL6967197 0.86 SLC6A4 (0.34) MEN1KMT2ASMN1; SMN2SLC6A4LMNA
SCHEMBL6971673 0.86 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2SLC6A4LMNA
SCHEMBL6972514 0.84 HTR2C (0.35) MEN1KMT2ASMN1; SMN2SLC6A4LMNA
SCHEMBL7082939 0.84 SMN1; SMN2 (0.31) SMN1; SMN2SLC6A4LMNAALDH1A1MAPT
SCHEMBL6975218 0.84 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2PKMGCGR
SCHEMBL7084256 0.84 SMN1; SMN2 (0.35) SMN1; SMN2SLC6A4LMNAALDH1A1MAPT
SCHEMBL6967632 0.83 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2SLC6A4ALDH1A1
SCHEMBL7080138 0.83 RAB9A (0.34) SMN1; SMN2LMNAALDH1A1MAPTTDP1
SCHEMBL6968809 0.82 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1

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