SCHEMBL5110159

SCHEMBL5110159

O=C(O)N1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAX Q07812 2/20 0.67
MAPT P10636 3/20 0.66
TP53 P04637 1/20 0.66
CYP3A4 P08684 1/20 0.66
ALOX15 P16050 1/20 0.66
MAPK1 P28482 1/20 0.66
MEN1 O00255 2/20 0.63
RAD52 P43351 2/20 0.63
KMT2A Q03164 2/20 0.63
DNM1 Q05193 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
NLRP1 Q9C000 1/20 0.50
P2RX3 P56373 1/20 0.49
TSHR P16473 1/20 0.47
GAA P10253 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
SCHEMBL5087737 1.00 BAX (0.67) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5025392 1.00 BAX (0.67) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5024544 0.94 MEN1 (0.73) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5026850 0.94 MEN1 (0.73) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5024534 0.94 MEN1 (0.73) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL6819686 0.89 BAX (0.82) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL30102077 0.87 BAX (0.61) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL24811552 0.86 BAX (0.66) BAXMAPTTP53CYP3A4ALOX15
SCHEMBL5022531 0.86 BAX (0.50) BAXMAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL30102320 0.85 MAPT (0.67) 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