SCHEMBL5022633

SCHEMBL5022633

CC(C)(C)OC(=O)ON1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BAX Q07812 2/20 0.56
MAPT P10636 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAD52 P43351 2/20 0.53
DNM1 Q05193 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NLRP1 Q9C000 1/20 0.42
P2RX3 P56373 1/20 0.42

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
SCHEMBL5025352 1.00 BAX (0.56) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5025317 0.95 MEN1 (0.62) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5022677 0.95 MEN1 (0.62) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5025287 0.95 MEN1 (0.62) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5022555 0.89 BAX (0.43) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5025290 0.88 RAD52 (0.58) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL608350 0.85 BAX (0.58) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL607628 0.85 BAX (0.58) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL607026 0.85 BAX (0.58) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL30102189 0.85 BAX (0.58) 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
EP-1237887-B1 9-(PIPERAZINYLALKYL)CARBAZOLES AS BAX-MODULATORS SERONO LAB (CH) 2008-06-04 EP claimed