SCHEMBL8213737

SCHEMBL8213737

C=CCc1cc2ccccc2nc1CC=C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.49
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PKM P14618 1/20 0.35
THRB P10828 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
HTR3A P46098 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL27357965 0.88 TLR8 (0.49) TLR8ALDH1A1MAPTHPGDGLA
SCHEMBL8672800 0.82 TLR8 (0.49) TLR8ALDH1A1MAPTHPGDGLA
SCHEMBL6535908 0.81 TLR8 (0.48) TLR8ALDH1A1MAPTHPGDGLA
SCHEMBL2818584 0.81 TLR8 (0.68) TLR8ALDH1A1MAPTHPGDGLA
SCHEMBL28237515 0.81 KMT2A (0.42) TLR8ALDH1A1MAPTHPGDGLA
SCHEMBL9242375 0.81 TLR8 (0.48) TLR8ALDH1A1MAPTHPGDGLA
SCHEMBL7191719 0.81 TLR8 (0.48) TLR8ALDH1A1MAPTHPGDGLA
SCHEMBL1115863 0.81 ALDH1A1 (0.49) TLR8ALDH1A1MAPTHPGDGLA
SCHEMBL27812919 0.81 ALDH1A1 (0.42) TLR8ALDH1A1MAPTHPGDGLA
Hydrochloric Acid SCHEMBL5480918 0.79 TLR8 (0.66) TLR8ALDH1A1MAPTHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103904-A Skraup reaction process for synthesizing quinolones BASF CORPORATION (US) 2000-08-15 US disclosed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP disclosed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO disclosed