SCHEMBL9625667

SCHEMBL9625667

C=CC[C](C#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
ALDH1A1 P00352 8/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 3/20 0.35
POLB P06746 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3240424 0.74 ATM (0.46) ALDH1A1LMNAMAPTMAPK1RAB9A
Acrylonitrile SCHEMBL9665187 0.73 MAOA (0.40) AKT1ALDH1A1LMNAHPGDPOLB
Water SCHEMBL8670864 0.72 MAOA (0.47) AKT1ALDH1A1LMNAHPGDPOLB
SCHEMBL3297834 0.72 AKT1 (0.44) AKT1ALDH1A1LMNAMAPTMAPK1
SCHEMBL277919 0.72 AKT1 (0.44) AKT1ALDH1A1LMNAMAPTMAPK1
SCHEMBL5080711 0.72 AKT1 (0.44) AKT1ALDH1A1LMNAMAPTMAPK1
SCHEMBL18585106 0.72 AKT1 (0.44) AKT1ALDH1A1LMNAMAPTMAPK1
SCHEMBL11498448 0.71 AKT1 (0.40) AKT1ALDH1A1LMNAMAPTMAPK1
SCHEMBL30680 0.70 MAOA (0.48) AKT1ALDH1A1LMNAHPGDPOLB
SCHEMBL9005842 0.69 AKT1 (0.39) AKT1ALDH1A1LMNAMAPTMAPK1

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
EP-0192987-B1 A PROCESS FOR PREPARING THERMICALLY STABLE OLEFINIC POLYMERS Himont Incorporated (US) 1992-04-22 EP disclosed
EP-0192987-A2 A process for preparing thermically stable olefinic polymers Himont Incorporated (US) 1986-09-03 EP disclosed