SCHEMBL17125511

SCHEMBL17125511

c1ccc2c(-c3ccc(-c4nnco4)cc3)c3ccccc3c(-c3ccc(-c4nnco4)cc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 13/20 0.68
▸ TLR8 Q9NR97 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TSHR P16473 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL17125525 0.86 NOTUM (0.53) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL17694561 0.83 NOTUM (0.78) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL17125512 0.83 NOTUM (0.55) NOTUMTLR8KDM4EALDH1A1MAPT
SCHEMBL5571187 0.82 NOTUM (0.91) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL9555 0.81 NOTUM (1.00) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL2610163 0.81 NOTUM (0.75) NOTUMTLR8KDM4EALDH1A1LMNA
Biphenyl SCHEMBL22577775 0.79 NOTUM (0.95) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL29139211 0.76 KDM4E (0.62) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL28317333 0.74 NOTUM (0.69) NOTUMTLR8KDM4EALDH1A1LMNA
SCHEMBL860256 0.74 NOTUM (0.64) NOTUMTLR8KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10240084-B2 Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2019-03-26 — — US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 — — US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 — — US disclosed
Send feedback