SCHEMBL29432619

SCHEMBL29432619

O[C@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BAX Q07812 2/20 1.00
MAPT P10636 2/20 0.97
TP53 P04637 1/20 0.97
CYP3A4 P08684 1/20 0.97
ALOX15 P16050 1/20 0.97
MAPK1 P28482 1/20 0.97
RAD52 P43351 3/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
DNM1 Q05193 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
IDO1 P14902 1/20 0.55
NLRP1 Q9C000 1/20 0.53
P2RX3 P56373 1/20 0.52
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.48
PER2 O15055 1/20 0.47

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
SCHEMBL29991749 1.00 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL610221 1.00 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL29716701 1.00 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL609012 1.00 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL609455 1.00 BAX (1.00) BAXMAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL31457408 0.99 MAPT (1.00) BAXMAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL31457406 0.99 MAPT (1.00) BAXMAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL21085183 0.99 MAPT (1.00) BAXMAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL30102393 0.99 MAPT (1.00) BAXMAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL30102390 0.99 MAPT (1.00) BAXMAPTTP53CYP3A4ALOX15

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-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 WO disclosed