SCHEMBL28593100

SCHEMBL28593100

c1ccc(-c2ccc3c(n2)CCC(c2ccccc2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRA1A P35348 2/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
PRKACA P17612 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46

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
SCHEMBL10430852 0.84 LMNA (0.38) GAAMAPTLMNAPOLBTSHR
SCHEMBL18699707 0.73 ADRA1A (0.53) GAAMAPTLMNAPOLBTSHR
SCHEMBL29992690 0.73 ADRA1A (0.53) GAAMAPTLMNAPOLBTSHR
SCHEMBL29993345 0.73 MAPT (0.47) GAAMAPTLMNAPOLBTSHR
SCHEMBL28162664 0.73 MAPT (0.47) GAAMAPTLMNAPOLBTSHR
SCHEMBL3310894 0.72 MEN1 (0.45) MAPTTSHRCDK5MEN1RAB9A
SCHEMBL3986936 0.72 LMNA (0.43) GAAMAPTLMNAPOLBTSHR
SCHEMBL13998643 0.71 MEN1 (0.45) HSD11B1MEN1RAB9AKMT2AHPGD
SCHEMBL31598494 0.70 MEN1 (0.44) MAPTTSHRCDK5MEN1RAB9A
SCHEMBL4790634 0.69 GRIN2B (0.59) GAAMAPTLMNAPOLBTSHR

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-113185555-B Pincer-shaped manganese complex and preparation method thereof, related ligand and preparation method thereof, catalyst composition and application 河北农业大学 2022-11-11 CN disclosed
CN-113185555-A Pincer-shaped manganese complex and preparation method thereof, related ligand and preparation method thereof, catalyst composition and application 河北农业大学 2021-07-30 CN disclosed