SCHEMBL25093088

SCHEMBL25093088

CC1CCc2ccc3c(c2N1C)N(C)C(C)CC3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SRD5A1 P18405 4/20 0.33
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL19526322 0.86 MEN1 (0.36) MEN1MAPTKMT2ASRD5A1GAA
SCHEMBL10840651 0.85 HTR2C (0.42) L3MBTL1MEN1LMNACYP1A2MAPT
SCHEMBL6578810 0.79 HTR1A (0.44) CHRM2CHRM1
SCHEMBL18973672 0.79 MAPT (0.37) L3MBTL1MEN1LMNACYP1A2MAPT
SCHEMBL20910801 0.77
SCHEMBL17049867 0.75 MAPT (0.38) L3MBTL1MEN1LMNACYP1A2MAPT
SCHEMBL17049866 0.74 SRD5A1 (0.41) SRD5A1SLC6A2SLC6A4SLC6A3
SCHEMBL7421714 0.73 ESR1 (0.39) L3MBTL1MEN1LMNACYP1A2MAPT
SCHEMBL811848 0.72 POLB (0.51) L3MBTL1MEN1KMT2ASRD5A1ESR1
SCHEMBL15222054 0.72 POLB (0.51) L3MBTL1MEN1KMT2ASRD5A1ESR1

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
EP-3239156-B1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE OF SAME HANWHA CHEMICAL CORP (KR) 2023-03-01 EP disclosed