SCHEMBL9068626

SCHEMBL9068626

Oc1c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c(-c2cccc3c2Cc2ccccc2-3)c1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SRD5A2 P31213 1/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
PGR P06401 1/20 0.38
MAOA P21397 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37

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
SCHEMBL4022045 0.84 PNMT (0.55) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.83 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.83 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL21440328 0.81 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2877998 0.81 PNMT (0.61) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2465337 0.81 PNMT (0.53) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30163133 0.80 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL382855 0.80 PNMT (0.56) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL21295469 0.78 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL58474 0.78 PNMT (0.58) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5589556-A METALLOCENE, ALUMOXANE FINA TECHNOLOGY, INC. (US) 1996-12-31 US claimed
US-5589556-A METALLOCENE, ALUMOXANE FINA TECHNOLOGY, INC. (US) 1996-12-31 US disclosed
US-5304523-A Stereorigid metallocene containing transition metal FINA TECHNOLOGY, INC. (US) 1994-04-19 US disclosed