SCHEMBL8032389

SCHEMBL8032389

C=C(C)C(=O)O/C(CC)=C(/C#N)c1nc(-c2ccccc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.55
ALDH1A1 P00352 7/20 0.55
POLB P06746 3/20 0.55
MEN1 O00255 10/20 0.51
KMT2A Q03164 10/20 0.51
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 1/20 0.48
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 3/20 0.45
USP2 O75604 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8032390 1.00 MAPT (0.55) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8032635 0.81 MAPT (0.50) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8032632 0.81 MAPT (0.50) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8032321 0.80 RAB9A (0.44) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8034748 0.77 MAPT (0.68) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8034745 0.77 MAPT (0.68) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL12297031 0.74 MAPT (0.50) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL30581075 0.71 MAPT (0.54) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL13963798 0.70 MAPT (0.55) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL694852 0.68 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ARAB9A

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
EP-0983997-A1 RESINS FOR ANTIFOULING AGENTS AGAINST PERIPHYTONS, PROCESS FOR THE PREPARATION OF THE RESINS, AND ANTIFOULING AGENTS AGAINST PERIPHYTONS CONTAINING THE SAME IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-03-08 EP disclosed