SCHEMBL7080138

SCHEMBL7080138

CCn1c(CC#N)nc(C(C)C)c1Sc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 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
SCHEMBL6973627 0.86 MEN1 (0.40) MAOAMAOBLMNATSHRTDP1
SCHEMBL6969333 0.86 DHODH (0.33) MAOAMAOBALDH1A1LMNAMAPT
SCHEMBL6974087 0.86 SMN1; SMN2 (0.35) RAB9AMAOAMAOBALDH1A1LMNA
SCHEMBL6974182 0.84 KDM4E (0.34) ALDH1A1MAPTTDP1
SCHEMBL7082939 0.84 SMN1; SMN2 (0.31) ALDH1A1LMNAMAPTSMN1; SMN2PTPN1
SCHEMBL6971673 0.83 SMN1; SMN2 (0.40) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL6967197 0.83 SLC6A4 (0.34) RAB9AMAOAMAOBALDH1A1LMNA
SCHEMBL6965584 0.83 MEN1 (0.35) ALDH1A1LMNAMAPTTDP1SMN1; SMN2
SCHEMBL7086006 0.83 ALOX5AP (0.33) RAB9AALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL6967795 0.83 ALDH1A1 (0.33) 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