SCHEMBL28610083

SCHEMBL28610083

CC(C)(C)NC(=O)O[C@@H]1CCCN(c2ncc(Cl)cc2C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.38
OPRK1 P41145 4/20 0.38
RBP4 P02753 1/20 0.38
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
PROKR1 Q8TCW9 6/20 0.36
NTMT1 Q9BV86 1/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 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
SCHEMBL28614142 0.86 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28605624 0.86 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28603240 0.85 KDM4E (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28603239 0.85 KDM4E (0.41) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28614149 0.83 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28614161 0.83 ACACB (0.45) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28597276 0.82 ACACB (0.51) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL28601559 0.82 ACACB (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL31124490 0.80 BTK (0.54) MEN1KMT2AOPRK1
SCHEMBL28610085 0.80 BTK (0.54) MEN1KMT2AOPRK1

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-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 CN disclosed