SCHEMBL8810132

SCHEMBL8810132

COc1ccc(N(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.45
▸ F10 P00742 3/20 0.44
▸ MAPT P10636 6/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SENP5 Q96HI0 2/20 0.40
▸ SENP2 Q9HC62 2/20 0.40
▸ SENP1 Q9P0U3 2/20 0.40

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
SCHEMBL8808371 0.96 KDR (0.46) KDRF10MAPTNPC1RAB9A
SCHEMBL8807954 0.89 F10 (0.43) F10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8809638 0.88 F10 (0.42) F10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8810117 0.88 MCHR1 (0.45) KDRF10MAPTNPC1RAB9A
SCHEMBL8809365 0.87 F10 (0.40) F10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8807068 0.87 KCNH2 (0.44) KDRF10MAPTNPC1RAB9A
SCHEMBL8809575 0.87 F10 (0.41) F10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8808106 0.86 F10 (0.41) F10MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8808363 0.85 MAOA (0.46) KDRMAOB
SCHEMBL8808236 0.85 MAPT (0.45) KDRMAPTTP53ALDH1A1KDM4E

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
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