SCHEMBL27936655

SCHEMBL27936655

Cc1ccc(I)cc1-c1ccc(CN)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
AKT2 P31751 1/20 0.44
CD274 Q9NZQ7 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HTR7 P34969 1/20 0.36
ADRB2 P07550 1/20 0.35
CSNK2A1 P68400 2/20 0.35
BACE1 P56817 1/20 0.35
SGK1 O00141 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL27950531 0.94 BACE1 (0.41) HRH3AKT2CD274TAAR1NOS3
SCHEMBL3780634 0.85 HRH3 (0.52) HRH3AKT2CD274TAAR1NOS3
SCHEMBL22400156 0.81 HRH3 (0.48) HRH3AKT2CD274TAAR1NOS3
SCHEMBL21725660 0.79 TAAR1 (0.53) HRH3AKT2CD274TAAR1LOXL2
SCHEMBL19503101 0.75 ESR2 (0.44) AKT2CD274BACE1
SCHEMBL3785998 0.74 CSNK2A1 (0.58) AKT2CD274TAAR1HTR7CSNK2A1
SCHEMBL19636314 0.74 HRH3 (0.74) HRH3TAAR1ADRB2LOXL2LTA4H
SCHEMBL18676904 0.73 LMNA (0.42)
SCHEMBL3789540 0.73 HRH3 (0.52) HRH3AKT2CD274TAAR1NOS3
SCHEMBL3793564 0.73 HTR7 (0.56) HRH3AKT2CD274TAAR1HTR7

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
CN-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN disclosed
CN-103570620-A 1,12-iminobenzo[c]phenanthrene compound, intermediate, preparation method and application of compound KUNSHAN VISIONOX DISPLAY TECH 2014-02-12 CN disclosed