SCHEMBL10644343

SCHEMBL10644343

Cn1c(C=O)nc2c3ccccc3ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC2A1 P11166 1/20 0.38
ERN1 O75460 1/20 0.38
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.37
IMPDH2 P12268 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL10277184 0.79 PDE10A (0.50) MAPTERN1RAB9ALMNAL3MBTL1
SCHEMBL10277537 0.78 CCR1 (0.48) MAPTERN1RAB9AALDH1A1LMNA
SCHEMBL10644015 0.76 KDM4E (0.49) TLR8MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21555496 0.75 TLR8 (0.60) TLR8MAPTSLC2A1ALDH1A1TDP1
SCHEMBL1104421 0.75 TLR8 (0.46) TLR8MAPTSLC2A1RAB9AALDH1A1
SCHEMBL18799906 0.75 TLR8 (0.46) TLR8MAPTSLC2A1RAB9AALDH1A1
SCHEMBL10644280 0.74 PDE10A (0.48) MAPTCYP1A2CYP2C9CYP2C19SLC2A1
SCHEMBL23105463 0.72 TLR8 (0.50) TLR8MAPTSLC2A1ALDH1A1MEN1
SCHEMBL22894791 0.72 PDE10A (0.36) MAPTERN1RAB9AALDH1A1TDP1
SCHEMBL9611690 0.72 TLR7 (0.61) TLR8MAPTSLC2A1RAB9AALDH1A1

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-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 EP disclosed