SCHEMBL8349840

SCHEMBL8349840

CC1=NN=C(/C=C/c2ccc(C#N)cc2)c2cc3c(cc2C1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRIA2 P42262 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
CYP19A1 P11511 1/20 0.33
ATM Q13315 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL7855278 1.00 MAPT (0.46) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8351699 0.85 MEN1 (0.63) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8351696 0.85 MEN1 (0.63) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL7845703 0.85 ALDH1A1 (0.48) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10479312 0.85 CYP3A4 (0.48) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10479311 0.85 CYP3A4 (0.48) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8350180 0.85 ALDH1A1 (0.48) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL7856609 0.82 CYP3A4 (0.46) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8351681 0.82 CYP3A4 (0.46) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8189209 0.81 CYP1A2 (0.45) MAPTMEN1KMT2ACYP3A4ALDH1A1

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-5942506-A TREATMENT OF NERVOUS SYSTEM DISORDERS, ANXIETY GIS GYOGYSZERGYAR RT. (HU) 1999-08-24 US disclosed