SCHEMBL11620577

SCHEMBL11620577

CCOc1cc(N)nc2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.51
PDE10A Q9Y233 2/20 0.45
BACE1 P56817 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
HRH4 Q9H3N8 2/20 0.41
TLR8 Q9NR97 1/20 0.41
CYBB P04839 1/20 0.40
KCNH2 Q12809 1/20 0.39
EGFR P00533 2/20 0.39
MEN1 O00255 1/20 0.39
TERT O14746 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
DHFR P00374 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL7805413 0.80 NCF1 (0.76) NCF1BACE1TLR8CYBBALDH1A1
SCHEMBL4620763 0.78 PDE10A (0.52) PDE10AMEN1KMT2AALDH1A1
SCHEMBL4621639 0.76 PDE10A (0.47) PDE10AMEN1KMT2AALDH1A1
SCHEMBL4620316 0.75 PLA2G2A (0.47) PDE10A
SCHEMBL2614815 0.72 KDM4E (0.47) PDE10AKCNH2MEN1KMT2AALDH1A1
SCHEMBL4818109 0.70 BACE1 (0.52) BACE1MEN1KMT2AALDH1A1BCHE
SCHEMBL4820714 0.70 BACE1 (0.52) BACE1MEN1KMT2AALDH1A1BCHE
SCHEMBL1136269 0.70 ALDH1A1 (0.59) HRH4MEN1LMNAKMT2AALDH1A1
SCHEMBL5989887 0.70 ALDH1A1 (0.66) HRH4MEN1KMT2AALDH1A1
SCHEMBL5088569 0.69 DHODH (0.45) PDE10AALDH1A1

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
US-4075343-A Anti-allergenic 5-alkoxyimidazo[1,2-A]quinoline-2-carboxylic acids and derivatives thereof PFIZER INC. (US) 1978-02-21 US disclosed