SCHEMBL7589543

SCHEMBL7589543

S=C(NCCc1cccc(I)c1)Nc1cc[c]cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
MAPT P10636 8/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 5/20 0.50
LMNA P02545 5/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
ALOX12 P18054 2/20 0.47
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
DUSP3 P51452 2/20 0.44
PTPN11 Q06124 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL7641137 0.84 RAB9A (0.55) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL7872172 0.84 MAPT (0.59) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL7673077 0.84 MAPT (0.67) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL7585545 0.84 MAPT (0.66) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL7588685 0.81 LMNA (0.59) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL7641134 0.80 MAPT (0.58) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28259456 0.80 RAB9A (0.72) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28257889 0.75 LMNA (0.61) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7783081 0.74 MAPT (0.71) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL6815517 0.74 MAPT (0.49) RAB9ANPC1MAOAMAOBMAPT

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 3 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
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