SCHEMBL8317050

SCHEMBL8317050

Cc1[nH]c2ccccc2c1C1=C(c2c(Cc3ccc(CN)c(O)c3)[nH]c3ccccc23)C(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.45
PRKCB P05771 5/20 0.40
PRKCA P17252 5/20 0.40
GSK3B P49841 1/20 0.39
PRKCD Q05655 2/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
GLI1 P08151 1/20 0.34
GLI2 P10070 1/20 0.34
PARP1 P09874 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CCR6 P51684 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
CHEK1 O14757 2/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33

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
SCHEMBL8316483 0.85 CAMK2D (0.51) CAMK2DPRKCBPRKCAGSK3BPRKCD
SCHEMBL8317078 0.85 CAMK2D (0.48) CAMK2DPRKCBPRKCAGSK3BPRKCD
Hydrochloric Acid SCHEMBL8318720 0.84 CAMK2D (0.48) CAMK2DPRKCBPRKCAGSK3BPRKCD
Hydrochloric Acid SCHEMBL8319189 0.81 PRKCB (0.49) CAMK2DPRKCBPRKCAGSK3BPRKCD
Hydrochloric Acid SCHEMBL8316034 0.80 CAMK2D (0.45) CAMK2DPRKCBPRKCAGSK3BPRKCD
SCHEMBL8314912 0.79 PRKCB (0.42) CAMK2DPRKCBPRKCAPRKCDPRKCH
SCHEMBL8317298 0.79 CAMK2D (0.48) CAMK2DPRKCBPRKCAGSK3BPRKCD
Hydrochloric Acid SCHEMBL8315530 0.78 CAMK2D (0.43) CAMK2DPRKCBPRKCAGSK3BPRKCD
SCHEMBL8314832 0.78 CAMK2D (0.43) CAMK2DPRKCBPRKCAPRKCDPRKCH
Hydrochloric Acid SCHEMBL8316493 0.77 CAMK2D (0.42) CAMK2DPRKCBPRKCAGSK3BPRKCD

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
EP-0925296-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1999-06-30 EP disclosed
WO-1998011102-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1998-03-19 WO disclosed