SCHEMBL11215489

SCHEMBL11215489

CCC(=O)Nc1nc2c(n1S(=O)(=O)c1ccccc1)CCC(C(=O)NN)=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RUNX1 Q01196 1/20 0.38
▸ CBFB Q13951 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ NOD1 Q9Y239 3/20 0.36
▸ LMNA P02545 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTR6 P50406 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ MTNR1B P49286 1/20 0.34

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
SCHEMBL11362036 0.91 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL11227773 0.81 MAPT (0.37) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL11364384 0.73 NOD1 (0.32) NOD1
SCHEMBL11311294 0.70 NOD1 (0.50) MEN1KMT2AGAAHPGDNOD1
SCHEMBL11368390 0.69 — —
SCHEMBL11352733 0.69 — —
SCHEMBL11197413 0.68 SMN1; SMN2 (0.32) KDM4EALDH1A1SMN1; SMN2
SCHEMBL11307980 0.66 GAA (0.31) GAA
SCHEMBL11206639 0.65 GAA (0.34) ALDH1A1GAATSHRTP53THRB
SCHEMBL11371124 0.63 NOD1 (0.34) NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 — — US disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 — — US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 — — US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 — — US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 — — US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 — — US disclosed
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