SCHEMBL5261683

SCHEMBL5261683

O=C(Nc1ccc(Cl)c(I)c1)c1ccc(Cl)c(I)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
MAPT P10636 4/20 0.67
RAB9A P51151 4/20 0.67
KDM4E B2RXH2 3/20 0.67
PKM P14618 1/20 0.67
BCAT2 O15382 1/20 0.55
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.51
MAOB P27338 3/20 0.51
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
MAOA P21397 1/20 0.50

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
SCHEMBL17784044 0.88 NPC1 (0.65) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL17784035 0.88 NPC1 (0.57) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL21145815 0.84 NPC1 (0.52) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL2302662 0.84 KCNQ3 (0.64) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL17784117 0.83 KCNQ3 (0.51) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL4437537 0.80 MAPT (0.68) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL14874999 0.80 RAB9A (0.51) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL19479144 0.80 NPC1 (0.67) NPC1MEN1KMT2AMAPTRAB9A
SCHEMBL13455669 0.79 NPC1 (0.68) NPC1MEN1KMT2AMAPTLMNA
SCHEMBL22059501 0.79 HDAC8 (0.47) NPC1MEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO disclosed