SCHEMBL26645096

SCHEMBL26645096

CC(=O)c1cc(Br)nn1CC(C)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL26645145 1.00 APAF1 (0.38) APAF1LMNAPOLBMEN1KMT2A
SCHEMBL26645085 1.00 APAF1 (0.38) APAF1LMNAPOLBMEN1KMT2A
SCHEMBL30622879 0.82 AAK1 (0.36) —
SCHEMBL30622865 0.82 AAK1 (0.36) —
SCHEMBL26645234 0.81 APAF1 (0.36) APAF1LMNAPOLBMEN1KMT2A
SCHEMBL26645555 0.81 APAF1 (0.36) APAF1LMNAPOLBMEN1KMT2A
SCHEMBL26645232 0.81 APAF1 (0.36) APAF1LMNAPOLBMEN1KMT2A
SCHEMBL26645126 0.81 APAF1 (0.38) APAF1LMNAPOLBMEN1KMT2A
SCHEMBL26645732 0.81 APAF1 (0.38) APAF1LMNAPOLBMEN1KMT2A
SCHEMBL26645122 0.81 APAF1 (0.38) APAF1LMNAPOLBMEN1KMT2A

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-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
Send feedback