SCHEMBL7571037

SCHEMBL7571037

CON=C(C)c1ccc(Br)c(Br)c1.CON=CCc1ccccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 2/20 0.31
GSK3B P49841 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6811303 0.79 GSK3B (0.41) HIF1AALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL6811307 0.79 GSK3B (0.41) HIF1AALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL7863643 0.78 TRPA1 (0.31)
SCHEMBL7868306 0.78
SCHEMBL7571034 0.77 CASP3 (0.47) HIF1AMAPTALDH1A1LMNAL3MBTL1
SCHEMBL7861383 0.73 HIF1A (0.39) HIF1AMAPTALDH1A1LMNAMAPK1
SCHEMBL7785594 0.72 L3MBTL1 (0.46) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7570658 0.70 RAB9A (0.34) LMNAKMT2AMEN1RAB9APOLB
SCHEMBL7863641 0.69 CASP3 (0.40) HIF1AMAPTALDH1A1LMNAL3MBTL1
SCHEMBL7778615 0.68 HIF1A (0.39) HIF1AMAPTALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed