SCHEMBL6566957

SCHEMBL6566957

CCNC(=O)c1ccccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BRD4 O60885 2/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
HCRTR1 O43613 1/20 0.45
CXCR2 P25025 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
SCHEMBL31483721 0.90 HTT (0.64) TSHRHTTKMT2AL3MBTL1BRD4
SCHEMBL26417076 0.90 HTT (0.64) TSHRHTTKMT2AL3MBTL1BRD4
SCHEMBL1063005 0.85 TSHR (0.66) TSHRHTTL3MBTL1ADRA1DADRA1A
SCHEMBL6903284 0.84 TSHR (0.58) TSHRHTTKMT2AALDH1A1KDM4E
SCHEMBL13544865 0.82 TSHR (0.56) TSHRHTTKMT2AL3MBTL1BRD4
SCHEMBL6268376 0.82 KMT2A (0.65) TSHRHTTKMT2AL3MBTL1BRD4
SCHEMBL28834724 0.82 HTT (0.56) TSHRHTTKMT2AL3MBTL1BRD4
SCHEMBL2129167 0.82 TSHR (0.47) TSHRHTTKMT2AL3MBTL1ALDH1A1
SCHEMBL29315261 0.82 HTT (0.56) TSHRHTTKMT2AL3MBTL1BRD4
SCHEMBL5702819 0.82 TSHR (0.83) TSHRHTTL3MBTL1ADRA1DADRA1A

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
EP-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP claimed
EP-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP disclosed
WO-2002020437-A2 BASIC COMPOUNDS CONTAINING TERTIARY AMIDES WITH ACTIVITY ON TACHYKININ RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2002-03-14 WO disclosed