SCHEMBL8735567

SCHEMBL8735567

COc1ccc2nc(N3CC[N]CC3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
TP53 P04637 6/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 2/20 0.60
CYP2C19 P33261 4/20 0.57
CYP2C9 P11712 3/20 0.57
CYP1A2 P05177 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP3A4 P08684 2/20 0.57
NPC1 O15118 2/20 0.57
MEN1 O00255 1/20 0.57
CYP2D6 P10635 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
KMT2A Q03164 1/20 0.57
RELA Q04206 1/20 0.57
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
APP P05067 4/20 0.52

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
SCHEMBL3468767 0.86 MAPT (0.65) MAPTTP53LMNATSHRCYP2C19
SCHEMBL2708042 0.85 SCN4A (0.71) MAPTTP53LMNATSHRCYP2C19
SCHEMBL1655993 0.85 APP (0.68) MAPTTP53LMNATSHRCYP2C19
SCHEMBL3468668 0.83 MAPT (0.61) MAPTTP53LMNATSHRCYP2C19
SCHEMBL3468725 0.82 MAPT (0.67) MAPTTP53LMNATSHRCYP2C19
SCHEMBL15963189 0.80 MAPT (0.58) MAPTTP53LMNATSHRCYP2C19
SCHEMBL15086778 0.79 MAPT (0.60) MAPTTP53LMNATSHRCYP2C19
SCHEMBL8916226 0.78 NPC1 (0.76) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL23744760 0.77 MAPT (0.56) MAPTTP53LMNATSHRCYP2C19
SCHEMBL30345573 0.77 MAPT (0.56) MAPTTP53LMNATSHRCYP2C19

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
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP claimed
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed