SCHEMBL28293891

SCHEMBL28293891

CC1(C)CCN(I)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.42
HTR2C P28335 1/20 0.40
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
P2RY1 P47900 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD11B1 P28845 1/20 0.35
CNR2 P34972 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL17461311 0.80 NOTUM (0.53) NOTUMHTR2CKDM4EMEN1MAPT
SCHEMBL30519847 0.78 NOTUM (0.43) NOTUMHTR2CGABRA1GABRB2KDM4E
SCHEMBL1451551 0.78 NOTUM (0.43) NOTUMHTR2CGABRA1GABRB2KDM4E
SCHEMBL6334445 0.77 NOTUM (0.42) NOTUMHTR2CGABRA1GABRB2KDM4E
SCHEMBL28035819 0.77 NOTUM (0.42) NOTUMHTR2CGABRA1GABRB2KDM4E
SCHEMBL2625755 0.74 RARA (0.48) NOTUMHTR2CGABRA1GABRB2KDM4E
SCHEMBL13209366 0.74 NOTUM (0.40) NOTUMHTR2CGABRA1GABRB2KDM4E
SCHEMBL13227696 0.74 HTR2C (0.41) NOTUMHTR2CGABRA1GABRB2KDM4E
SCHEMBL21051639 0.73 NOTUM (0.42) NOTUMHTR2CGABRA1GABRB2KDM4E
SCHEMBL1572418 0.73 ADRA2C (0.47) NOTUMHTR2CGABRA1GABRB2KDM4E

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-109843291-A synthetic retinoids (cell modulation) 杜伦大学 2019-06-04 CN disclosed