SCHEMBL28657269

SCHEMBL28657269

O=[N+]([O-])c1[c]c(OCc2ccccc2)ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MGMT P16455 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
CYP19A1 P11511 4/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
AR P10275 2/20 0.38

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
SCHEMBL7015864 0.84 TLR4 (0.48) TLR4TLR2MAOAMAOBKMT2A
SCHEMBL29070974 0.83 SMN1; SMN2 (0.42) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL3058689 0.79 MAPT (0.50) MAOAMAOBMAPTHTR1ARAB9A
SCHEMBL11428678 0.75 SMN1; SMN2 (0.37) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11241339 0.75 CA12 (0.34) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27388637 0.73 HTR1A (0.55) PIN1TLR4TLR2MAOAMAOB
SCHEMBL4252795 0.73 TDP1 (0.40) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL28377756 0.73 MEN1 (0.45) MEN1KMT2AMAPTHTR1AADRA1D
SCHEMBL11113662 0.72 PRMT5 (0.44) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL17260899 0.71 MAPT (0.43) MAOAMAOBMAPTHTR1ARAB9A

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-110437364-B Polymers having UV-absorbing properties and their use in cosmetics 百肽德医药生物科技(广东)有限公司 2021-11-23 CN disclosed