SCHEMBL7417077

SCHEMBL7417077

NNc1ccccc1NC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL29840068 0.89 GAA (0.67) GAAKDM4EMAPTGFERALDH1A1
SCHEMBL3928666 0.89 GAA (0.67) GAAKDM4EMAPTGFERALDH1A1
SCHEMBL10605873 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2RECQLPOLBCYP1A2
SCHEMBL9082911 0.81 L3MBTL1 (0.61) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL31484713 0.81 ALDH1A1 (0.52) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL1537798 0.81 ALDH1A1 (0.52) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL15259585 0.80 KDM4E (0.57) GAAKDM4EMAPTGFERALDH1A1
SCHEMBL29840042 0.79 GAA (0.52) GAAKDM4EMAPTGFERALDH1A1
SCHEMBL465541 0.79 GAA (0.52) GAAKDM4EMAPTGFERALDH1A1
SCHEMBL23653363 0.79 TGM2 (0.55) KDM4EMAPTALDH1A1SMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743946-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1996-11-27 — — EP disclosed
US-5508288-A Indole derivatives as 5HT1C antagonists SMITHKLINE BEECHAM, P.L.C. (GB) 1996-04-16 — — US disclosed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 — — WO disclosed
EP-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 — — EP disclosed
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 — — US disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 — — WO disclosed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 — — WO disclosed
WO-1993016694-A1 USE OF INDYLPYRIDYLUREAS TO HEAL THE EFFECTS OF BRAIN OR SPIRAL TRAUMA SMITHKLINE BEECHAM PLC (GB) 1993-09-02 — — WO disclosed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 — — EP disclosed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 — — WO disclosed
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