SCHEMBL7992858

SCHEMBL7992858

Oc1ccccc1Oc1nccc(-c2[c]nc(Oc3ccc4c(c3)OCO4)nc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
NOS2 P35228 4/20 0.40
BRD4 O60885 2/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SYK P43405 1/20 0.37
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
MAOB P27338 2/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL7986045 0.73 MEN1 (0.40) MAPK14SYKKMT2AMEN1MAPT
SCHEMBL7985956 0.71 MAPK14 (0.41) MAPK14KMT2AMEN1MAPTHTT
SCHEMBL7986965 0.70 MAPT (0.41) MAPK14NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7985834 0.69 MEN1 (0.43) MAPK14BRD4NPC1RAB9ASMN1; SMN2
SCHEMBL7989153 0.69 ALDH1A1 (0.43) RAB9ASMN1; SMN2LMNAKMT2AGAA
SCHEMBL7988190 0.68 PDE10A (0.45) MAPK14NPC1RAB9AKMT2AMEN1
SCHEMBL7989104 0.67 PPP1CA (0.50) MAPK14SMN1; SMN2KMT2APOLBGAA
SCHEMBL6947003 0.67 NOS2 (0.54) MAPK14NOS2BRD4NPC1RAB9A
SCHEMBL5619718 0.67 ALDH1A1 (0.48) NOS2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7986104 0.66 KDM4E (0.39) MAPK14SMN1; SMN2LMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271373-B1 PYRIDINE DERIVATIVE FORMED BY REACTING A PYRAZINE DERIVATIVE WITH FECL3 AND ACETIC ACID VIROPHARMA INCORPORATED 2001-08-07 US disclosed
US-6180628-B1 PYRIDAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES AND THEIR USE IN TREATING INFLUENZA INFECTION AND OTHER VIRAL DISEASES VIROPHARMA INCORPORATED 2001-01-30 US disclosed
EP-0920419-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA VIROPHARMA INC (US) 1999-10-06 EP disclosed
US-5935957-A PYRIDAZINE DERIVATIVES VIROPHARMA INCORPORATED (US) 1999-08-10 US disclosed
EP-0920419-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA Viropharma Incorporated (US) 1999-06-09 EP disclosed
US-5821243-A 3,4,5-TRIOXO-2H,3H,4H,5H-PYRIDAZINES; TRANSCRIPTASE INHIBITORS; NONTOXIC VIROPHARMA INCORPORATED (US) 1998-10-13 US disclosed
WO-1998003487-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INFLUENZA VIROPHARMA INCORPORATED (US) 1998-01-29 WO disclosed