SCHEMBL9434294

SCHEMBL9434294

N#Cc1ccc(C=CC(=O)Cc2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
ALDH1A1 P00352 2/20 0.63
TBXAS1 P24557 2/20 0.52
SNCA P37840 2/20 0.51
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
NAMPT P43490 1/20 0.44
HDAC2 Q92769 1/20 0.44
CYP11B2 P19099 2/20 0.43
CYP11B1 P15538 1/20 0.43
P4HB P07237 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP19A1 P11511 1/20 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
SCHEMBL9434552 0.86 P4HB (0.48) MAPTALDH1A1TBXAS1LMNANAPRT
SCHEMBL9433826 0.84 TBXAS1 (0.57) MAPTTBXAS1HTTNAPRTPOLB
SCHEMBL9433920 0.84 TBXAS1 (0.56) MAPTTBXAS1HTTNAPRTPOLB
SCHEMBL9434018 0.83 TBXAS1 (0.56) MAPTTBXAS1HTTLMNANAPRT
SCHEMBL9433523 0.83 TBXAS1 (0.56) MAPTTBXAS1HTTNAPRTPOLB
SCHEMBL9433504 0.83 TBXAS1 (0.56) MAPTALDH1A1TBXAS1HTTNAPRT
SCHEMBL9433343 0.80 TBXAS1 (0.52) MAPTTBXAS1HTTNAPRTPOLB
SCHEMBL9434179 0.79 GSK3B (0.68) MAPTALDH1A1TBXAS1LMNATHRB
SCHEMBL9433645 0.79 MAPT (0.69) MAPTALDH1A1TBXAS1HTTLMNA
SCHEMBL9433528 0.79 NAPRT (0.46) MAPTALDH1A1TBXAS1LMNANAPRT

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed