SCHEMBL29612835

SCHEMBL29612835

Cc1cc(C)cc(NCNc2cc(C)cc(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.44
POLB P06746 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
HTT P42858 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL4740356 0.82 THRB (0.64) THRBMAPTSMN1; SMN2RAPGEF4POLB
SCHEMBL5280349 0.80 THRB (0.50) THRBMAPTSMN1; SMN2RAPGEF4POLB
SCHEMBL27652941 0.78 THRB (0.48) THRBMAPTSMN1; SMN2RAPGEF4POLB
SCHEMBL8285560 0.76 THRB (0.57) THRBMAPTSMN1; SMN2RAPGEF4POLB
SCHEMBL4863544 0.74 THRB (0.55) THRBMAPTSMN1; SMN2RAPGEF4POLB
SCHEMBL29612398 0.74 MAPT (0.75) MAPTSMN1; SMN2CYP1A2CYP3A4HTT
SCHEMBL9396667 0.74 MAPT (0.75) MAPTSMN1; SMN2CYP1A2CYP3A4HTT
SCHEMBL21001785 0.74 THRB (0.67) THRBMAPTSMN1; SMN2RAPGEF4POLB
SCHEMBL12285488 0.74 THRB (0.45) THRBMAPTSMN1; SMN2RAPGEF4POLB
SCHEMBL17852352 0.74 THRB (0.45) THRBMAPTSMN1; SMN2RAPGEF4POLB

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-114391028-A Polyimide, varnish and film 引能仕株式会社 2022-04-22 CN disclosed