SCHEMBL29519787

SCHEMBL29519787

CCC(O)c1c(F)cccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
RECQL P46063 1/20 0.42
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
GRIA4 P48058 5/20 0.37
GRIA2 P42262 1/20 0.36
MAPT P10636 2/20 0.36
KCNQ2 O43526 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS1 P23219 3/20 0.36
MEN1 O00255 2/20 0.36
PTGS2 P35354 2/20 0.36
KMT2A Q03164 2/20 0.36
FABP2 P12104 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C4 P17516 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 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
SCHEMBL12186095 0.82 LMNA (0.46) LMNARECQLADRA2BCES2CES1
SCHEMBL11996557 0.81 GRIA4 (0.43) LMNAPDCD1CD274GRIA4MAPT
SCHEMBL5907405 0.81 LMNA (0.46) LMNARECQLPDCD1CD274MAPT
SCHEMBL29519413 0.81 PTGS1 (0.41) LMNARECQLPDCD1CD274GRIA4
SCHEMBL11332491 0.78 SIGMAR1 (0.40) MAPT
SCHEMBL11464305 0.75 LMNA (0.55) LMNAGRIA4GRIA2MAPTPTGS1
SCHEMBL30931034 0.74 DHODH (0.40) LMNAGRIA4MAPTRAB9APTGS1
SCHEMBL14252877 0.74 LMNA (0.39) LMNARECQLKMT2AADRA2BHTT
SCHEMBL1327147 0.74 LMNA (0.39) LMNARECQLKMT2AADRA2BHTT
SCHEMBL12124852 0.74 LMNA (0.39) LMNARECQLKMT2AADRA2BHTT

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-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 CN disclosed