SCHEMBL5785504

SCHEMBL5785504

O=C(NCc1cc2ccccc2[nH]1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.60
METTL3 Q86U44 1/20 0.55
METTL14 Q9HCE5 1/20 0.55
IDO1 P14902 2/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
EGFR P00533 1/20 0.50
PIK3CA P42336 1/20 0.50
LMNA P02545 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3560619 0.86 IDO1 (0.58) SSTR3METTL3METTL14IDO1MTNR1A
SCHEMBL28852764 0.85 MTNR1A (0.70) SSTR3IDO1MTNR1AMTNR1BNPC1
SCHEMBL17149913 0.85 NPC1 (0.57) SSTR3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29411078 0.82 GPR84 (0.64) SSTR3MTNR1AMTNR1BNPC1RAB9A
SCHEMBL13415981 0.81 MTNR1A (0.73) METTL3METTL14IDO1MTNR1AMTNR1B
SCHEMBL11856052 0.79 LOXL2 (0.56) METTL3METTL14IDO1MTNR1AMTNR1B
SCHEMBL13405930 0.78 HPGD (0.65) METTL3METTL14NPC1RAB9ASMN1; SMN2
SCHEMBL10962102 0.78 IMPDH2 (0.48) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL1382509 0.78 L3MBTL1 (0.55) METTL3METTL14IDO1MTNR1AMTNR1B
SCHEMBL1381256 0.78 IDO1 (0.59) SSTR3METTL3METTL14IDO1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225894-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2006-07-05 EP disclosed
EP-1225894-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1225894-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP disclosed
WO-2001026652-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO disclosed