SCHEMBL13670757

SCHEMBL13670757

Cc1ccc2cc3cnccc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
CYP1A2 P05177 3/20 0.54
IMPDH2 P12268 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
PRKCZ Q05513 1/20 0.43
ACHE P22303 1/20 0.42
HASPIN Q8TF76 3/20 0.40
NOTUM Q6P988 1/20 0.40
CYP19A1 P11511 1/20 0.40
F9 P00740 1/20 0.39
ROCK2 O75116 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
PIM1 P11309 2/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL24621868 1.00 CYP2A6 (0.54) CYP2A6CYP1A2IMPDH2TDP1CSNK1D
SCHEMBL761399 0.91 CYP2A6 (0.56) CYP2A6CYP1A2IMPDH2TDP1PRKCZ
SCHEMBL30969150 0.91 CYP2A6 (0.59) CYP2A6CYP1A2IMPDH2TDP1PRKCZ
SCHEMBL2616771 0.91 CYP2A6 (0.59) CYP2A6CYP1A2IMPDH2TDP1PRKCZ
SCHEMBL30824503 0.91 CYP2A6 (0.56) CYP2A6CYP1A2IMPDH2TDP1PRKCZ
SCHEMBL13156497 0.84 CLK1 (0.55) CSNK1DCSNK1ECLK1DYRK1APRKCZ
SCHEMBL13156539 0.84 CLK1 (0.55) CSNK1DCSNK1ECLK1DYRK1APRKCZ
SCHEMBL13156508 0.84 CLK1 (0.55) CSNK1DCSNK1ECLK1DYRK1APRKCZ
SCHEMBL13156496 0.84 CLK1 (0.55) CSNK1DCSNK1ECLK1DYRK1APRKCZ
SCHEMBL13615233 0.84 PRKCZ (0.53) CYP2A6CYP1A2IMPDH2TDP1DYRK1A

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
US-20220223810-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-07-14 US disclosed
EP-2110376-A1 Novel compounds for electronic material and organic electronic device using the same Gracel Display Inc. (KR) 2009-10-21 EP disclosed