SCHEMBL30028086

SCHEMBL30028086

CC1=C(C)C([Zr](C)(C)C2C(C)=C(C)c3c2c2ccccc2n3-c2ccccc2)c2c1n(-c1ccccc1)c1ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
IL1R1 P14778 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPK8 P45983 2/20 0.35
PGR P06401 2/20 0.34
PLA2G2A P14555 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
BRCA1 P38398 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL28896169 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EATMIL1R1ALDH1A1
Hydrochloric Acid SCHEMBL30028218 0.99 L3MBTL1 (0.42) L3MBTL1KDM4EATMIL1R1ALDH1A1
SCHEMBL30209850 0.81 L3MBTL1 (0.47) L3MBTL1KDM4EATMIL1R1ALDH1A1
SCHEMBL21494515 0.81 L3MBTL1 (0.47) L3MBTL1KDM4EATMIL1R1ALDH1A1
SCHEMBL30027498 0.78 L3MBTL1 (0.44) L3MBTL1KDM4EATMIL1R1ALDH1A1
SCHEMBL30027520 0.78 L3MBTL1 (0.44) L3MBTL1KDM4EATMIL1R1ALDH1A1
Hydrochloric Acid SCHEMBL28896160 0.77 L3MBTL1 (0.43) L3MBTL1KDM4EATMIL1R1ALDH1A1
Hydrochloric Acid SCHEMBL30027860 0.77 L3MBTL1 (0.43) L3MBTL1KDM4EATMIL1R1ALDH1A1
Hydrochloric Acid SCHEMBL28896012 0.77 L3MBTL1 (0.43) L3MBTL1KDM4EATMIL1R1ALDH1A1
Hydrochloric Acid SCHEMBL30028162 0.77 L3MBTL1 (0.43) L3MBTL1KDM4EATMIL1R1ALDH1A1

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-115400797-A Heteroatom-containing metallocene catalyst system and method for catalyzing alpha-olefin oligomerization 中国科学院山西煤炭化学研究所 2022-11-29 CN disclosed