SCHEMBL8317497

SCHEMBL8317497

Cc1[nH]c2ccccc2c1C1=C(c2c(Cc3ccc(CN(C)C)cc3)[nH]c3ccccc23)C(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CAMK2D Q13557 2/20 0.45
PRKCB P05771 6/20 0.43
PRKCA P17252 6/20 0.43
PRKCH P24723 5/20 0.43
PRKCE Q02156 5/20 0.43
PRKCQ Q04759 5/20 0.43
PRKCD Q05655 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 1/20 0.38
CDK2 P24941 1/20 0.38
CCR6 P51684 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TNKS O95271 3/20 0.37
HTR6 P50406 1/20 0.37
PARP1 P09874 1/20 0.36
CHEK1 O14757 1/20 0.36
CYP1A2 P05177 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
SCHEMBL8315735 0.90 PRKCB (0.43) CYP3A4MAPTCAMK2DPRKCBPRKCA
SCHEMBL8316483 0.86 CAMK2D (0.51) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8317078 0.79 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5686050 0.79 CAMK2D (0.57) MAPTCAMK2DPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8318720 0.78 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL5683201 0.77 CAMK2D (0.50) MAPTCAMK2DPRKCBPRKCAPRKCH
SCHEMBL8317050 0.77 CAMK2D (0.45) CAMK2DPRKCBPRKCAPRKCHPRKCE
SCHEMBL8317298 0.77 CAMK2D (0.48) CAMK2DPRKCBPRKCAPRKCHPRKCE
Hydrochloric Acid SCHEMBL8319189 0.76 PRKCB (0.49) MAPTCAMK2DPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8316034 0.75 CAMK2D (0.45) CAMK2DPRKCBPRKCAPRKCHPRKCE

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