SCHEMBL7081892

SCHEMBL7081892

Cc1cc(C)cc(Sc2c(C(C)C)nc(CCO)n2CC(=O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 1/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CTSD P07339 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6960689 0.94 HTT (0.35) HTTALDH1A1ALOX5KMT2AMAPT
SCHEMBL6960212 0.89 HTT (0.36) HTTALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL6965581 0.89 HTT (0.36) HTTALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6969233 0.87 KMT2A (0.36) HTTALDH1A1ALOX5KMT2AMAPT
SCHEMBL6965395 0.85 LMNA (0.35) HTTALDH1A1ALOX5KMT2AMAPT
SCHEMBL6965372 0.85 KMT2A (0.37) HTTALDH1A1ALOX5KMT2AMAPT
SCHEMBL6966622 0.83 TLR8 (0.35) HTTALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL6968844 0.83 POLB (0.36) HTTALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL7082502 0.83 BRD4 (0.38) HTTALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL7078355 0.81 NPSR1 (0.35) HTTALDH1A1KMT2AMAPTSMN1; SMN2

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