SCHEMBL22288178

SCHEMBL22288178

CCCCCC(C)c1c2ccccc2cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
CNR2 P34972 4/20 0.37
CNR1 P21554 3/20 0.37
GPR84 Q9NQS5 1/20 0.36
HTR2A P28223 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN3A Q9NY46 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL22288166 0.95 MAPT (0.39) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL8207670 0.86 MAPT (0.43) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL10361949 0.84 MAPT (0.45) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL2113581 0.83 MAPT (0.41) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL8211957 0.82 TACR3 (0.42) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL2113229 0.81 MAPT (0.43) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL30220430 0.81 KMT2A (0.47) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL30220315 0.81 TLR8 (0.41) KMT2AL3MBTL1KDM4EMEN1NPC1
SCHEMBL28898983 0.80 MAPT (0.43) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL18949976 0.80 HTR2A (0.42) KMT2AL3MBTL1KDM4EMEN1HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed