SCHEMBL4101559

SCHEMBL4101559

CCCc1ccnc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.48
CTSK P43235 2/20 0.46
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 2/20 0.40
ITK Q08881 1/20 0.39
CTSS P25774 1/20 0.39
ALDH1A1 P00352 3/20 0.38
BLM P54132 1/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL28208711 0.90 KCNH2 (0.44) SREBF2CTSKKDM4EL3MBTL1MAPT
SCHEMBL7468603 0.88 KCNH2 (0.51) SREBF2KDM4EL3MBTL1MAPTMEN1
SCHEMBL11298035 0.87 KCNH2 (0.54) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL27135558 0.85 MAPT (0.42) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL7910500 0.83 SREBF2 (0.50) SREBF2KDM4EL3MBTL1MAPTMEN1
SCHEMBL14351990 0.82 HRH1 (0.48) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL25972174 0.79 KDM4E (0.50) KDM4EL3MBTL1MEN1KMT2ALMNA
SCHEMBL6409488 0.78 ADRB2 (0.46) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL28853231 0.78 MAPT (0.42) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL7958916 0.78 TRPV3 (0.45) KDM4EL3MBTL1MAPTMEN1KMT2A

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-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO disclosed