SCHEMBL9433933

SCHEMBL9433933

CC1=C(C#N)C(c2cccc([N+](=O)[O-])c2)C(c2ncccc2C(=O)O)=C(C)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CACNA1F O60840 7/20 0.45
CACNA1D Q01668 7/20 0.45
CACNA1S Q13698 7/20 0.45
CACNA1C Q13936 7/20 0.45
ADORA3 P0DMS8 2/20 0.45
PDE1C Q14123 1/20 0.44
NR1I2 O75469 1/20 0.43
NR3C1 P04150 1/20 0.43
ABCB1 P08183 1/20 0.43
TBXA2R P21731 1/20 0.43
AGTR1 P30556 1/20 0.43
CCKBR P32239 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
SCN5A Q14524 1/20 0.43
SLC29A1 Q99808 1/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL9434138 0.81 MAPT (0.46) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7265997 0.81 MAPT (0.58) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9434784 0.80 CACNA1C (0.41) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9434141 0.79 KDM4E (0.54) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL11355605 0.75 CACNA1F (0.53) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9433634 0.75 CACNA1F (0.55) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9434256 0.74 CACNA1F (0.52) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL9434327 0.73 CACNA1F (0.51) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9434220 0.73 CACNA1B (0.51) MAPTALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7309769 0.73 MAPT (0.43) MAPTALDH1A1CACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed