SCHEMBL13870066

SCHEMBL13870066

CSCCn1cnc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.70
▸ LMNA P02545 8/20 0.58
▸ SMN1; SMN2 Q16637 7/20 0.58
▸ HTT P42858 5/20 0.58
▸ EGLN3 Q9H6Z9 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CYP11B1 P15538 4/20 0.53
▸ CYP11B2 P19099 4/20 0.53
▸ TNF P01375 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ADRA2A P08913 1/20 0.49

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
SCHEMBL32660139 0.86 TDP1 (0.75) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL3084595 0.86 TDP1 (0.75) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL3069742 0.86 TDP1 (0.75) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL6442808 0.83 TDP1 (1.00) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL19642850 0.82 TDP1 (0.63) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL230330 0.80 TDP1 (0.78) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL9814242 0.80 TDP1 (0.84) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL30294105 0.80 TDP1 (0.84) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL3161153 0.80 TDP1 (0.84) TDP1LMNASMN1; SMN2HTTEGLN3
Bromide SCHEMBL10912945 0.79 TDP1 (0.75) TDP1LMNASMN1; SMN2HTTEGLN3

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-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
US-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
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