SCHEMBL29193530

SCHEMBL29193530

Clc1ccc2c(c1)nnn2-c1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CHEK1 O14757 1/20 0.40
LIMK1 P53667 1/20 0.40
MAPK14 Q16539 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
FGFR1 P11362 1/20 0.37
HPGD P15428 1/20 0.37
SLC9A1 P19634 1/20 0.36
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL11883034 0.81 RAB9A (0.49) KCNMA1NPC1KDM4EHPGDSLC9A1
SCHEMBL29193568 0.78 RAB9A (0.43) KCNMA1SLC9A1GLATHRBKMT2A
SCHEMBL28980715 0.72 HPGD (0.61) KCNMA1L3MBTL1NPC1KDM4ECHEK1
SCHEMBL6064913 0.72 KCNMA1 (0.67) KCNMA1L3MBTL1NPC1KDM4ECHEK1
SCHEMBL7645987 0.72 KCNMA1 (0.43) KCNMA1L3MBTL1NPC1KDM4ECHEK1
SCHEMBL11264259 0.68 CHEK1 (0.53) KCNMA1L3MBTL1NPC1KDM4ECHEK1
SCHEMBL29193520 0.66 RAB9A (0.43) KCNMA1NPC1HPGDSLC9A1KMT2A
SCHEMBL5327943 0.66 SMN1; SMN2 (0.47) KCNMA1NPC1KDM4ESLC9A1KMT2A
SCHEMBL29193554 0.66 RAB9A (0.43) KCNMA1KDM4EHPGDSLC9A1KMT2A
SCHEMBL1150909 0.65 CHEK1 (0.50) KCNMA1L3MBTL1NPC1KDM4ECHEK1

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-117903071-A Synthesis method of alpha-aminoketone derivative 湖州师范学院 2024-04-19 CN disclosed