SCHEMBL8809423

SCHEMBL8809423

COc1ccc(CN(C)CCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.45
▸ ABCG2 Q9UNQ0 3/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ LTA4H P09960 2/20 0.42
▸ MAOB P27338 3/20 0.42
▸ MAOA P21397 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ AHR P35869 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL8808197 0.91 ABCG2 (0.46) ABCG2MAPTTP53MAOBMEN1
SCHEMBL8809632 0.90 BCHE (0.44) ABCG2MAPTTP53SIGMAR1MAOB
SCHEMBL8810996 0.87 ACKR3 (0.45) ACKR3MAPTSIGMAR1LTA4HMAOB
SCHEMBL8809566 0.87 BCHE (0.43) ABCG2MAPTTP53SIGMAR1MAOB
SCHEMBL8808101 0.86 BCHE (0.43) ABCG2MAPTTP53SIGMAR1MAOB
SCHEMBL8810838 0.86 ALDH1A1 (0.41) MAPTTP53LTA4HMAOBMAOA
SCHEMBL8808205 0.85 MAPT (0.48) ABCG2MAPTTP53MAOBMEN1
SCHEMBL8809430 0.85 MAPT (0.48) ABCG2MAPTTP53MAOBMEN1
SCHEMBL8807015 0.85 ABCG2 (0.44) ABCG2MAPTTP53MEN1KMT2A
SCHEMBL8807951 0.84 BCHE (0.45) ABCG2MAPTSIGMAR1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
Send feedback