SCHEMBL7777708

SCHEMBL7777708

Nc1ccc(N)cc1.O=C(O)c1cc(Br)co1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 1/20 0.42
KDM4E B2RXH2 4/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 1/20 0.38
GPR35 Q9HC97 1/20 0.37
EPRS1 P07814 1/20 0.37
MAPT P10636 4/20 0.36
RECQL P46063 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 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
SCHEMBL7777704 0.91 PARP10 (0.44) PIM1CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL279705 0.88
SCHEMBL7716974 0.78 MEN1 (0.50) MAPTTDP1MEN1KMT2APOLB
SCHEMBL5154728 0.76
Diethylamine SCHEMBL28778084 0.75 CHRNB2 (0.40) PIM1CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL275260 0.74
SCHEMBL754514 0.70
SCHEMBL1032837 0.70
SCHEMBL2225985 0.69 CHRNB2 (0.41) PIM1CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL7784369 0.69 ALDH1A1 (0.47) CHRNA4CHRNB2CHRNB4CHRNA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed