SCHEMBL7701252

SCHEMBL7701252

N=C(N)c1cc2ccc(F)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 5/20 0.44
NPC1 O15118 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
FLT3 P36888 2/20 0.41
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPT P10636 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
APP P05067 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.36

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
Hydrochloric Acid SCHEMBL7706879 0.98 PRMT1 (0.42) PRMT1NPC1TSHRMAPK1FLT3
SCHEMBL7701265 0.85 CA12 (0.45) PRMT1NPC1TSHRMAPK1FLT3
Hydrochloric Acid SCHEMBL7706858 0.84 CA12 (0.44) PRMT1NPC1TSHRMAPK1FLT3
SCHEMBL7701256 0.79 NPC1 (0.40) NPC1TSHRMAPK1FLT3RAB9A
SCHEMBL1879859 0.78 PIM1 (0.54) NPC1TSHRMAPK1FLT3RAB9A
Hydrochloric Acid SCHEMBL7709258 0.77 NPC1 (0.39) NPC1TSHRMAPK1FLT3RAB9A
SCHEMBL7701254 0.77 PRMT1 (0.36) PRMT1FLT3ITGB3ITGA2B
SCHEMBL16795786 0.76 ALDH1A1 (0.53) NPC1TSHRMAPK1FLT3RAB9A
Hydrochloric Acid SCHEMBL7703630 0.76 PRMT1 (0.35) PRMT1FLT3ITGB3ITGA2B
SCHEMBL563143 0.75 FLT3 (0.62) NPC1TSHRMAPK1FLT3RAB9A

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
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP claimed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP claimed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 WO claimed
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5955495-A BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S HOFFMANN-LA ROCHE INC. (US) 1999-09-21 US disclosed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 WO disclosed