SCHEMBL6972514

SCHEMBL6972514

CCn1c(CCN)nc(C(C)C)c1Sc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A4 P31645 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
GSK3B P49841 1/20 0.31
DHFR P00374 2/20 0.30
ADORA1 P30542 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL6967197 0.90 SLC6A4 (0.34) MEN1PKMKMT2ASLC6A4SMN1; SMN2
SCHEMBL6975218 0.87 SMN1; SMN2 (0.36) MEN1PKMKMT2ASMN1; SMN2GSK3B
SCHEMBL7086943 0.86 TAAR1 (0.34) HTR2CHTR6KMT2ADHFRALDH1A1
SCHEMBL6968809 0.85 ALDH1A1 (0.38) MEN1PKMKMT2ASMN1; SMN2GSK3B
SCHEMBL6965584 0.84 MEN1 (0.35) MEN1PKMKMT2ASLC6A4SMN1; SMN2
SCHEMBL6971673 0.84 SMN1; SMN2 (0.40) MEN1KMT2ASLC6A4SMN1; SMN2ALDH1A1
SCHEMBL8343098 0.84 HDAC6 (0.41) MEN1KMT2AALDH1A1LMNA
SCHEMBL7082836 0.83 TLR7 (0.38) HTR2CHTR6SLC6A4GSK3BCYP1A2
SCHEMBL6973209 0.83 HRH1 (0.40) HTR2CHTR6SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL6972527 0.82 ALDH1A1 (0.31) ALDH1A1LMNAMAPT

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