SCHEMBL8084765

SCHEMBL8084765

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)CSc3ccnc4ccccc34)cc2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.44
BACE1 P56817 3/20 0.42
ACHE P22303 2/20 0.41
LMNA P02545 2/20 0.38
KIT P10721 1/20 0.38
ESRRB O95718 1/20 0.38
ESR1 P03372 1/20 0.38
ESRRA P11474 1/20 0.38
ESRRG P62508 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
DTYMK P23919 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CNR2 P34972 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL8084900 0.87 SMN1; SMN2 (0.46) GBA1ACHELMNAKITESRRB
SCHEMBL8089838 0.86 ALDH1A1 (0.35) LMNAMEN1ALDH1A1MAPTTSHR
SCHEMBL8084675 0.84 SMN1; SMN2 (0.44) GBA1ACHELMNAESRRBESR1
SCHEMBL8088233 0.83 RAB9A (0.42) LMNAKITMEN1ALDH1A1MAPT
SCHEMBL8076743 0.81 CHRM2 (0.41) GBA1ACHEDTYMKCNR2CHRM2
SCHEMBL8076724 0.80 NAMPT (0.46) LMNAMAPTSMN1; SMN2
SCHEMBL8088289 0.77 IDO1 (0.42) LMNAKITMEN1ALDH1A1MAPT
SCHEMBL8084112 0.77 MAPT (0.48) LMNACHRM1ALDH1A1MAPTKMT2A
SCHEMBL8089904 0.76 LMNA (0.51) LMNAIDEMEN1ALDH1A1MAPT
SCHEMBL2422976 0.76 PDGFRB (0.55) GBA1ACHEKITSMARCA2SMARCA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed