SCHEMBL22559975

SCHEMBL22559975

CC1(I)CN(c2ccccc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRL1 P41146 9/20 0.42
OPRM1 P35372 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HSD11B1 P28845 1/20 0.40
GRM5 P41594 1/20 0.37

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
SCHEMBL27913504 0.81 AR (0.51) GAAKDM4EMAPTTDP1DDB1
SCHEMBL4002127 0.76 OPRM1 (0.41) GAAKDM4EMAPTTDP1DDB1
SCHEMBL291894 0.71 MAPT (0.43) GAAKDM4EMAPTTDP1DDB1
SCHEMBL4002163 0.71 OPRM1 (0.46) GAAKDM4EMAPTTDP1DDB1
SCHEMBL14989002 0.69 OPRM1 (0.44) GAAKDM4EMAPTTDP1DDB1
SCHEMBL4001442 0.69 ALDH1A1 (0.45) GAAMAPTMEN1KMT2AOPRL1
SCHEMBL23561017 0.67 GRM5 (0.54) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL9578136 0.67 RAB9A (0.47) GAAKDM4EMAPTTDP1DDB1
SCHEMBL16702383 0.66 AR (0.54) GAAKDM4EMAPTDDB1CRBN
SCHEMBL17912958 0.64 AR (0.52) GAARAB9AOPRL1OPRM1SMN1; SMN2

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
US-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed