SCHEMBL13052883

SCHEMBL13052883

Cn1ccnc1-c1cc(-c2nccn2C)cc(-c2nccn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.46
BRD4 O60885 3/20 0.42
NMT1 P30419 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
HDAC4 P56524 2/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKDC P78527 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
RIPK2 O43353 2/20 0.35
ACLY P53396 1/20 0.35

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
SCHEMBL16131408 0.93 LPO (0.46) LPOBRD4NMT1KDM4ENPC1
SCHEMBL14412223 0.87 NMT1 (0.52) LPOBRD4NMT1KDM4ENPC1
SCHEMBL17264894 0.86 NMT1 (0.52) LPOBRD4NMT1KDM4ENPC1
SCHEMBL12320472 0.85 LPO (0.39) LPOBRD4NMT1KDM4ENPC1
SCHEMBL31398200 0.85 LPO (0.39) LPOBRD4NMT1KDM4ENPC1
SCHEMBL12320160 0.85 SMN1; SMN2 (0.52) LPOBRD4NMT1KDM4ENPC1
SCHEMBL308400 0.84 LPO (0.55) LPOBRD4KDM4ENPC1PKM
SCHEMBL15262345 0.83 BRD4 (0.43) LPOBRD4NMT1HSD17B10ACLY
SCHEMBL12320483 0.83 HDAC4 (0.39) LPOBRD4NMT1KDM4ENPC1
SCHEMBL28039299 0.82 CYP1B1 (0.44) KDM4ENPC1RAB9A

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
US-7838131-B2 Light emitting element and azole compound FUJIFILM CORPORATION (JP) 2010-11-23 US disclosed
US-20100044638-A1 1,3,5-Tri((2-(methyl-)benzimidazol-1-yl)-)benzene; OLED'shaving a light emission maximum wavelength of 500 nm or less wherein the minimum excitation triplet energy level of the host material is higher than the minimum excitation triplet energy level of the light emitting material FUJIFILM CORPORATION (JP) 2010-02-25 US disclosed
US-7632579-B2 Light emitting element and azole compound FUJIFILM CORPORATION (JP) 2009-12-15 US disclosed