SCHEMBL8558760

SCHEMBL8558760

CCCCCNC(=O)C1=Cc2cc(OC)ccc2N=C(N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA2 P47869 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
APP P05067 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL10343209 0.94 TLR8 (0.47) TLR8MAPTGAAALDH1A1KDM4E
SCHEMBL8179510 0.81 CA12 (0.55) TLR8MAPTGAAALDH1A1KDM4E
SCHEMBL8188907 0.79 CA12 (0.41) TLR8ALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL8188956 0.79 TLR8 (0.53) TLR8MAPTALDH1A1KDM4ENPC1
SCHEMBL10343253 0.78 TLR8 (0.62) TLR8
SCHEMBL10044374 0.72 TLR8 (0.53) TLR8
SCHEMBL21841734 0.71 TLR8 (0.54) TLR8
SCHEMBL28129049 0.71 PRKAG1 (0.45) TLR8MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL21841694 0.70 TLR8 (0.53) TLR8
SCHEMBL8179545 0.70 TLR8 (0.60) TLR8ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825186-A1 2-Aminobenzazepine derivatives and their use for the treatment of immunosuppression PFIZER INC. (US) 1998-02-25 EP disclosed