SCHEMBL7701265

SCHEMBL7701265

N=C(N)c1cc2cc(F)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
F2 P00734 3/20 0.44
F10 P00742 1/20 0.44
CHRNA7 P36544 1/20 0.42
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
FLT3 P36888 2/20 0.41
PRMT1 Q99873 3/20 0.40
PLAU P00749 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

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 SCHEMBL7706858 0.98 CA12 (0.44) CA12CA1CA2CA9F2
SCHEMBL7701252 0.85 PRMT1 (0.44) NPC1TSHRMAPK1FLT3PRMT1
Hydrochloric Acid SCHEMBL7706879 0.84 PRMT1 (0.42) NPC1TSHRMAPK1FLT3PRMT1
SCHEMBL2704996 0.81 NPC1 (0.49) CA12CA1CA2CA9CHRNA7
SCHEMBL7701260 0.79 CHRNA7 (0.43) CA12CA1CA2CA9CHRNA7
SCHEMBL2897831 0.78 PIM1 (0.64) CA12CA1CA2CA9CHRNA7
SCHEMBL30419935 0.78 PIM1 (0.64) CA12CA1CA2CA9CHRNA7
Hydrochloric Acid SCHEMBL7706271 0.77 CHRNA7 (0.42) CA12CA1CA2CA9CHRNA7
SCHEMBL7701254 0.77 PRMT1 (0.36) F2F10TPSAB1TPSD1TPSG1
SCHEMBL23875930 0.76 NPC1 (0.47) CA12CA1CA2CA9CHRNA7

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