SCHEMBL24035975

SCHEMBL24035975

CC(C)(C)N/C=C(\C=N)C(=O)NCc1nc(-c2cc3c(Br)cccc3n2CC(F)(F)F)no1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
F10 P00742 1/20 0.32
CNR2 P34972 6/20 0.32
TP53 P04637 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL24035200 0.81 CYP2D6 (0.40) MAPTCNR2TP53ALDH1A1TSHR
SCHEMBL24035888 0.78 MAPT (0.38) MAPTTP53ALDH1A1TSHRLMNA
SCHEMBL24035933 0.77 MAPT (0.39) MAPTTP53ALDH1A1LMNAKMT2A
SCHEMBL30177510 0.76 ALDH1A1 (0.37) MAPTCNR2TP53ALDH1A1TSHR
SCHEMBL24852937 0.75 CNR2 (0.34) MAPTCNR2TP53ALDH1A1TSHR
SCHEMBL26735402 0.75 MAPT (0.39) MAPTTP53KMT2A
SCHEMBL24035276 0.73 CNR2 (0.35) MAPTCNR2TP53ALDH1A1
SCHEMBL24036353 0.73 ACACB (0.39) MAPTCNR2TP53MEN1LMNA
SCHEMBL26627925 0.73 MAPT (0.38) MAPTCNR2TP53ALDH1A1LMNA
SCHEMBL30295615 0.72 CNR1 (0.36) MAPTALDH1A1TSHRLMNAKMT2A

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
WO-2021231474-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-11-18 WO disclosed