SCHEMBL8314912

SCHEMBL8314912

Cc1[nH]c2ccccc2c1C1=C(c2c(Cc3cccc(CN)c3)[nH]c3ccc(CC(=O)O)cc23)C(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 6/20 0.42
PRKCA P17252 6/20 0.42
CAMK2D Q13557 2/20 0.41
PPARG P37231 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KLK1 P06870 1/20 0.37
PRKCD Q05655 2/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PIM1 P11309 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
SCHEMBL8317078 0.89 CAMK2D (0.48) PRKCBPRKCACAMK2DKLK1PRKCD
Hydrochloric Acid SCHEMBL8318720 0.88 CAMK2D (0.48) PRKCBPRKCACAMK2DKLK1PRKCD
Hydrochloric Acid SCHEMBL8316493 0.85 CAMK2D (0.42) PRKCBPRKCACAMK2DMAPTMEN1
SCHEMBL8319658 0.84 ROCK2 (0.45) PRKCBPRKCACAMK2DKDM4EALDH1A1
SCHEMBL8317092 0.84 ROCK2 (0.45) PRKCBPRKCACAMK2DKDM4EALDH1A1
SCHEMBL8316483 0.84 CAMK2D (0.51) PRKCBPRKCACAMK2DKLK1PRKCD
Hydrochloric Acid SCHEMBL8319262 0.83 ROCK2 (0.44) PRKCBPRKCACAMK2DKDM4EALDH1A1
SCHEMBL8314832 0.80 CAMK2D (0.43) PRKCBPRKCACAMK2DPRKCDPRKCH
SCHEMBL8318394 0.80 HTR6 (0.42) KDM4EALDH1A1MAPTMEN1HPGD
Hydrochloric Acid SCHEMBL8317707 0.80 CAMK2D (0.42) PRKCBPRKCACAMK2DPRKCDPRKCH

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