SCHEMBL27936615

SCHEMBL27936615

Cc1ccc(I)c(-c2ccc(CN)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
AKT2 P31751 1/20 0.45
BACE1 P56817 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
TAAR1 Q96RJ0 5/20 0.41
PLG P00747 2/20 0.38
KLK1 P06870 2/20 0.38
KLK6 Q92876 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADRB2 P07550 1/20 0.36
CSNK2A1 P68400 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
SGK1 O00141 1/20 0.35
LTA4H P09960 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
SCHEMBL22400156 0.83 HRH3 (0.48) HRH3AKT2BACE1CD274TAAR1
SCHEMBL28807429 0.82 MAOB (0.40) BACE1CYP1A2CYP2A6
SCHEMBL3791657 0.81 AKT2 (0.49) HRH3AKT2BACE1CD274TAAR1
SCHEMBL21859425 0.79 HRH3 (0.43) HRH3AKT2BACE1CD274TAAR1
SCHEMBL17963054 0.79 POLB (0.41)
SCHEMBL3789670 0.78 HRH3 (0.46) HRH3AKT2BACE1CD274TAAR1
SCHEMBL21725464 0.77 HRH3 (0.42) HRH3AKT2BACE1CD274TAAR1
SCHEMBL27550928 0.77 LMNA (0.43) HRH3AKT2BACE1CD274TAAR1
SCHEMBL27872424 0.77 HRH3 (0.42) HRH3AKT2BACE1CD274TAAR1
SCHEMBL260102 0.75 HRH3 (0.74) HRH3AKT2BACE1TAAR1CYP1A2

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