SCHEMBL14977478

SCHEMBL14977478

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(C#N)N1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 1/20 0.49
ADORA3 P0DMS8 2/20 0.46
NR1I2 O75469 1/20 0.46
NR3C1 P04150 1/20 0.46
ABCB1 P08183 1/20 0.46
TBXA2R P21731 1/20 0.46
AGTR1 P30556 1/20 0.46
CCKBR P32239 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
SCN5A Q14524 1/20 0.46
SLC29A1 Q99808 1/20 0.46
CACNA1F O60840 4/20 0.46
CACNA1D Q01668 4/20 0.46
CACNA1S Q13698 4/20 0.46
CACNA1C Q13936 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46

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
SCHEMBL14977476 1.00 MAPT (0.49) MAPTALDH1A1ADORA3NR1I2NR3C1
SCHEMBL10656803 0.88 CACNA1F (0.53) MAPTADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL11681591 0.81 MAPT (0.61) MAPTADORA3NR1I2NR3C1ABCB1
SCHEMBL31191654 0.81 MAPT (0.61) MAPTADORA3NR1I2NR3C1ABCB1
SCHEMBL8405429 0.80 CACNA1C (0.54) MAPTADORA3NR1I2NR3C1TBXA2R
SCHEMBL8403729 0.80 CACNA1C (0.54) MAPTADORA3NR1I2NR3C1TBXA2R
SCHEMBL8403737 0.80 CACNA1C (0.54) MAPTADORA3NR1I2NR3C1TBXA2R
SCHEMBL8403732 0.80 MAPT (0.50) MAPTALDH1A1ADORA3NR1I2NR3C1
SCHEMBL3443984 0.79 CACNA1F (0.67) MAPTADORA3CACNA1FCACNA1DCACNA1S
SCHEMBL3443991 0.79 CACNA1F (0.67) MAPTADORA3CACNA1FCACNA1DCACNA1S

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-2782573-A1 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY Lipidart Kutató Fejleszto És Tanácsadó Kft. (HU) 2014-10-01 EP claimed
WO-2013076516-A1 1,4- DIHYDROPYRIDINE DERIVATIVES WITH HSP MODULATING ACTIVITY LIPIDART KUTATÓ FEJLESZTŐ ÉS TANÁCSADÓ KFT. (HU) 2013-05-30 WO claimed