SCHEMBL29637641

SCHEMBL29637641

CN1c2ccccc2C(C)(C)C12Oc1ccc3ccccc3c1N=C2Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
KDM4E B2RXH2 7/20 0.59
THRB P10828 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALOX12 P18054 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 1/20 0.59
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 3/20 0.36
CYP3A4 P08684 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
SCHEMBL8680755 0.75 MAPT (0.51) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL29493002 0.74 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL80364 0.74 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13839771 0.74 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL14071963 0.71 MAPT (0.52) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL2183705 0.70 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13809421 0.70 MAPT (0.89) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL14870331 0.70 MAPT (0.77) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13619848 0.68 MAPT (0.73) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL2400708 0.67 MAPT (0.65) MAPTKDM4ETHRBSMN1; SMN2ALOX12

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-114583052-A Thermochromic organic field effect transistor 西北工业大学 2022-06-03 CN disclosed