SCHEMBL27978596

SCHEMBL27978596

CN(C)c1ccc2c(c1)C=C[CH]2.[Zr]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
TSHR P16473 5/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TERT O14746 1/20 0.38
APP P05067 1/20 0.38
P2RX4 Q99571 1/20 0.34
MAPK1 P28482 3/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PSMB5 P28074 2/20 0.32
MAPT P10636 2/20 0.32
EGFR P00533 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC2A1 P11166 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL27314310 0.98 ALDH1A1 (0.42) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL27519711 0.90 ALDH1A1 (0.36) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL28330225 0.71 CYP1A2 (0.36) ALDH1A1ALOX15CYP3A4TDP1TP53
SCHEMBL215268 0.69 CYP1A2 (0.38) ALDH1A1ALOX15HSD17B10CYP3A4TDP1
SCHEMBL4267722 0.68 ALDH1A1 (0.37) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL27337814 0.67 AR (0.36) ALDH1A1TSHRTERTMAPK1CYP3A4
SCHEMBL7794547 0.64 CA12 (0.34) ALDH1A1ALOX15MAPK1TDP1KDM4E
SCHEMBL7636299 0.64 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL26882 0.64 TRPA1 (0.40) ALDH1A1MAPK1TP53MAPTSMN1; SMN2
SCHEMBL714777 0.64 ALDH1A1 (0.40) ALDH1A1TSHRALOX15HSD17B10TDP1

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
CN-103946245-A Catalyst for olefin polymerization and copolymerization and method for olefin polymerization or copolymerization using the same SAMSUNG TOTAL PETROCHEMICALS 2014-07-23 CN disclosed