SCHEMBL30343000

SCHEMBL30343000

c1ccc2c(c1)Cc1c([Zr]c3cccc4c3Cc3ccccc3-4)cccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.52
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAOA P21397 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 2/20 0.38
CES1 P23141 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 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
SCHEMBL4611115 1.00 PNMT (0.52) PNMTHTR7HTR2BNPC1RAB9A
Methane SCHEMBL5839042 0.98 PNMT (0.50) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL8733464 0.89 PNMT (0.46) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL524602 0.82 PNMT (0.63) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL30103334 0.82 PNMT (0.63) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL6910606 0.82 PNMT (0.38) PNMTHTR7HTR2BNPC1RAB9A
Methane SCHEMBL28768619 0.82 PNMT (0.38) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL566018 0.81 PNMT (0.40) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL2877998 0.80 PNMT (0.61) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL8416843 0.80 PNMT (0.45) PNMTHTR7HTR2BNPC1RAB9A

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-111868113-B Ultra-high molecular weight polyethylene powder 旭化成株式会社 2023-04-07 CN disclosed