SCHEMBL29580422

SCHEMBL29580422

CCc1cc(C2(c3ccc(N)c(CC)c3)c3ccccc3-c3ccccc32)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
OPRK1 P41145 1/20 0.51
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP2D6 P10635 1/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PDK2 Q15119 4/20 0.34
NOS2 P35228 1/20 0.33
KIF11 P52732 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
MAOA P21397 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
SCHEMBL7052838 1.00 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28296492 0.85 MEN1 (0.53) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29418466 0.84 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29580316 0.84 ESR1 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2442567 0.84 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7051551 0.84 ESR1 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8984492 0.84 MAPT (0.38) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29632505 0.83 SMN1; SMN2 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5679728 0.83 SMN1; SMN2 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL383087 0.81 ESR1 (0.64) MAPTSMN1; SMN2MEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110114384-B Curable composition 3M创新有限公司 2022-06-07 CN claimed
CN-110114384-B Curable composition 3M创新有限公司 2022-06-07 CN disclosed