SCHEMBL23375447

SCHEMBL23375447

B1COC(c2cccc3ccccc23)OC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
DRD2 P14416 1/20 0.40
PLA2G6 O60733 4/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
FAAH O00519 1/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPC5 Q9UL62 1/20 0.39

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
SCHEMBL5699414 0.82 KDM1A (0.50) KDM1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL694466 0.82 KDM1A (0.50) KDM1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL29117514 0.81 KDM1A (0.48) KDM1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL5329929 0.79 KDM1A (0.47) KDM1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL31546135 0.76 MTNR1A (0.45) KDM1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL15890435 0.75 SMN1; SMN2 (0.52) KDM1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL9562043 0.73 KMT2A (0.45) KDM1ASLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL4555644 0.73 CYP3A4 (0.35) ALDH1A1MAPTNPSR1NPC1RAB9A
SCHEMBL5852684 0.72 SLC6A4 (0.53) KDM1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL2464189 0.72 SLC6A4 (0.53) KDM1ASLC6A4SLC6A2SLC6A3DRD2

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
US-11203721-B1 Process of removing a metal from a fluid hydrocarbon PRECISION COMBUSTION, INC. (US) 2021-12-21 US disclosed
US-11015128-B1 Process of removing a metal from a fluid hydrocarbon PRECISION COMBUSTION, INC. (US) 2021-05-25 US disclosed