SCHEMBL9493532

SCHEMBL9493532

CCN(CCO)c1ccc(C=C(C#N)C(=O)O)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPT P10636 3/20 0.64
POLB P06746 2/20 0.64
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
EGFR P00533 1/20 0.56
LMNA P02545 2/20 0.56
USP2 O75604 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
CISD1 Q9NZ45 1/20 0.52
KDM4E B2RXH2 1/20 0.52
SLC16A3 O15427 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
SLC16A1 P53985 1/20 0.52

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
SCHEMBL9494350 1.00 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL15132047 0.90 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL9361425 0.90 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL9361429 0.90 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL9361387 0.85 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL9360759 0.85 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL11988543 0.84 MEN1 (0.67) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL21160479 0.84 CISD1 (0.55) ALDH1A1EGFRCISD1KDM4ESLC16A3
SCHEMBL15138659 0.83 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL22954004 0.83 SLC16A3 (0.64) MEN1KMT2AALDH1A1MAPTPOLB

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-5212269-A Main chain chromophoric polymers with second order nonlinear optical properties UNITED STATES OF AMERICA, THE, AS REPRESENTED BY THE SECRETARY OF THE NAVY 1993-05-18 US disclosed