SCHEMBL1056

SCHEMBL1056

CCCc1c(CO)ncn1S(=O)(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
SORD Q00796 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL941 0.85 TSHR (0.40) KDM4EGAATSHR
Hydrochloric Acid SCHEMBL9281270 0.83 KDM4E (0.36) KDM4EGAATSHRSORD
SCHEMBL993 0.78 KDM4E (0.46) KDM4EGAATSHRSORDMEN1
SCHEMBL472 0.77 KDM4E (0.39) KDM4EGAATSHR
Hydrochloric Acid SCHEMBL7276912 0.75 KDM4E (0.38) KDM4EGAATSHR
SCHEMBL7274394 0.69 KDM4E (0.36) KDM4EGAATSHR
SCHEMBL9321576 0.69 KDM4E (0.40) KDM4EGAATSHR
Hydrochloric Acid SCHEMBL7277644 0.68 KDM4E (0.36) KDM4EGAATSHR
SCHEMBL713 0.66 KDM4E (0.46) KDM4EGAATSHRMEN1KMT2A
SCHEMBL8142567 0.66 SMN1; SMN2 (0.47) KDM4EGAATSHR

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-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP disclosed