SCHEMBL28025964

SCHEMBL28025964

CC1=C(c2cccs2)c2ccccc2[CH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 5/20 0.41
RAB9A P51151 4/20 0.41
LTA4H P09960 1/20 0.40
NPC1 O15118 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCA P17252 1/20 0.37
GSK3B P49841 1/20 0.37
PTAFR P25105 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP1A2 P05177 1/20 0.35
LTK P29376 1/20 0.35

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
SCHEMBL2975488 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
SCHEMBL2964840 0.73 LTA4H (0.41) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
SCHEMBL17627823 0.72 LTA4H (0.46) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
SCHEMBL2971197 0.72 KDM4E (0.40) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
SCHEMBL995326 0.69 LTA4H (0.55) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
SCHEMBL3626478 0.69 RAB9A (0.61) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
SCHEMBL2975487 0.68 RAB9A (0.42) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
Hydrogen Sulfide SCHEMBL752785 0.67 LTA4H (0.53) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
SCHEMBL9086705 0.67 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H
SCHEMBL2975853 0.66 LTA4H (0.39) ALDH1A1SMN1; SMN2KDM4ERAB9ALTA4H

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
CN-108137729-B Catalysts for forming multimodal polymers 埃克森美孚化学专利公司 2021-02-05 CN disclosed
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed