SCHEMBL28476540

SCHEMBL28476540

OC1(c2cccc3c2Cc2ccccc2-3)C=CC=C(Cl)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
SRD5A2 P31213 1/20 0.33
PDK2 Q15119 2/20 0.32

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
SCHEMBL28481657 0.85 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28479583 0.84 RAB9A (0.38) PNMTNPC1RAB9AHSP90AA1HTR7
SCHEMBL28470782 0.84 NPC1 (0.38) PNMTNPC1RAB9AHSP90AA1HTR7
SCHEMBL28482283 0.81 RAB9A (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28472609 0.79 PNMT (0.39) PNMTNPC1RAB9AHSP90AA1HTR7
SCHEMBL28469714 0.77 PNMT (0.39) PNMTNPC1RAB9AHSP90AA1HTR7
SCHEMBL28327495 0.72 PNMT (0.37) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28476546 0.68 RAB9A (0.38) PNMTNPC1RAB9AHSP90AA1HTR7
SCHEMBL524602 0.65 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.65 PNMT (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111752101-A Photosensitive resin composition, cured film, substrate with cured film, and method for producing substrate with cured film 日铁化学材料株式会社 2020-10-09 CN disclosed