SCHEMBL7491390

SCHEMBL7491390

O=[C]CSn1cnc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ TNF P01375 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ EGLN3 Q9H6Z9 1/20 0.40
▸ ASAH1 Q13510 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ STAT6 P42226 1/20 0.38
▸ GGPS1 O95749 1/20 0.38
▸ FDPS P14324 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL11451311 0.85 TDP1 (0.46) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8413080 0.77 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL9060998 0.77 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL6529410 0.75 CYP11B1 (0.53) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL6530090 0.75 TDP1 (0.46) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8792548 0.75 TDP1 (0.46) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL20683088 0.74 TDP1 (0.48) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL8013907 0.74 TDP1 (0.52) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL273486 0.74 TDP1 (0.52) TDP1CYP11B1CYP11B2TNFHTT
SCHEMBL1939000 0.73 TDP1 (0.44) TDP1CYP11B1CYP11B2TNFHTT

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-0357061-B1 Angiogenesis inhibitory agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-06-08 — — EP claimed
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