SCHEMBL11235809

SCHEMBL11235809

CCOCCOc1cc(N)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.46
GAA P10253 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CASP1 P29466 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 4/20 0.38
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL9664527 0.84 MAPT (0.50) NCF1GAAMAPTALDH1A1CASP1
SCHEMBL1188568 0.83 MAPT (0.61) GAAMAPTALDH1A1CASP1KDM4E
SCHEMBL16372545 0.83 APP (0.49) NCF1GAAMAPTALDH1A1CASP1
SCHEMBL1231708 0.83 MAPT (0.49) NCF1GAAMAPTALDH1A1CASP1
SCHEMBL11687770 0.82 KDM4E (0.51) GAAMAPTALDH1A1CASP1KDM4E
SCHEMBL5172812 0.82 ALDH1A1 (0.43) GAAMAPTALDH1A1CASP1KDM4E
SCHEMBL13224665 0.82 TSHR (0.56) GAAMAPTALDH1A1CASP1KDM4E
SCHEMBL13788876 0.81 ALDH1A1 (0.49) GAAMAPTALDH1A1CASP1KDM4E
SCHEMBL11686319 0.79 TSHR (0.54) GAAMAPTALDH1A1CASP1KDM4E
SCHEMBL11685315 0.79 TSHR (0.54) GAAMAPTALDH1A1CASP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326066-A Triazolyl coumarin compounds, processes for their preparation and their use as whiteners and laser dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
US-4022799-A DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4001253-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed