SCHEMBL22928449

SCHEMBL22928449

CC([C@H](C)N)[C@@](C)(O)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
ALOX15 P16050 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KIF11 P52732 1/20 0.33
ALOX5 P09917 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
PDE2A O00408 1/20 0.32
NOS1 P29475 2/20 0.31
TYR P14679 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
AR P10275 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL22928607 0.79 MEN1 (0.37) ALOX15LMNASMN1; SMN2MEN1POLB
SCHEMBL22928584 0.78 FPR2 (0.37) MAOALMNASMN1; SMN2MEN1POLB
SCHEMBL4989751 0.74 CA1 (0.35) ALOX15LMNASMN1; SMN2MEN1POLB
SCHEMBL23893797 0.72 KIF11 (0.33) MAOAMEN1KMT2AKIF11TSHR
SCHEMBL7944567 0.70 CYP2A6 (0.40) ALOX15MEN1POLBKMT2ACA1
SCHEMBL8582556 0.69 MEN1 (0.56) ALOX15LMNAMEN1POLBKMT2A
SCHEMBL18911463 0.69 CYP2A6 (0.44) ALOX15LMNAMEN1POLBKMT2A
SCHEMBL155856 0.69 CYP2A6 (0.44) ALOX15LMNAMEN1POLBKMT2A
SCHEMBL18911320 0.69 FPR2 (0.36) LMNASMN1; SMN2MEN1POLBKMT2A
SCHEMBL19448778 0.69 CYP3A4 (0.39) ALOX15LMNASMN1; SMN2MEN1POLB

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-3380101-B1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2021-01-27 EP disclosed