SCHEMBL8333095

SCHEMBL8333095

O=C1Nc2cc(Cl)ccc2Oc2cccc(O)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
CES1 P23141 2/20 0.41
CHEK1 O14757 1/20 0.39
ALOX5 P09917 4/20 0.38
TGM2 P21980 1/20 0.37
AHR P35869 1/20 0.37
TYR P14679 2/20 0.36
MAOA P21397 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL6273613 0.84 ALOX5 (0.38) TP53MAPTALOX5TGM2TYR
SCHEMBL6184354 0.84 AHR (0.40) TP53MAPTCES1ALOX5TGM2
SCHEMBL8333850 0.82 ALOX5 (0.62) MAPTLMNAALOX5TXNRD1TXNRD3
SCHEMBL6256089 0.81 ABL1 (0.41) CHEK1
SCHEMBL6272881 0.80 ABL1 (0.38) MAPTLMNAALOX5TYR
SCHEMBL8321281 0.78 ALOX5 (0.65) TP53MAPTLMNAALOX5
SCHEMBL172370 0.78 LMNA (0.58) TP53MAPTLMNACES1CHEK1
SCHEMBL6274420 0.77 ALOX5 (0.42) TP53MAPTALOX5TYRTXNRD1
SCHEMBL6267336 0.77 ABL1 (0.48) MAPTLMNAALOX5TYR
SCHEMBL6270867 0.75 SMN1; SMN2 (0.40) MAPTLMNA

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-2004033437-A1 DIBENZOXAZEPINE BAYER HEALTHCARE AG (DE) 2004-04-22 WO disclosed