SCHEMBL30224652

SCHEMBL30224652

CC1(C)C(=O)N(CC(F)(F)F)c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.33
STING1 Q86WV6 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 1/20 0.31
ANPEP P15144 1/20 0.31
PGR P06401 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
SCHEMBL23992898 1.00 BACE1 (0.38) BACE1ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL17275707 0.82 ALDH1A1 (0.47) BACE1ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL23993885 0.82 BACE1 (0.39) BACE1PKMANPEP
SCHEMBL23992901 0.81 RXRA (0.34) MAPTSTING1LMNATP53TDP1
SCHEMBL23994439 0.79 TP53 (0.48) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL23993590 0.78 RXRA (0.35) BACE1KMT2AMEN1STING1LMNA
SCHEMBL22479422 0.77 BACE1 (0.36) BACE1PKMANPEP
SCHEMBL31729612 0.77 BACE1 (0.36) BACE1PKMANPEP
SCHEMBL13341336 0.77 BACE1 (0.32) BACE1TDP1
SCHEMBL2824816 0.76 MAPT (0.44) ALDH1A1KMT2APKMSMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090514-A1 COVALENT SARM1 INHIBITORS NURA BIO, INC. (US) 2025-05-01 WO disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed