SCHEMBL18537495

SCHEMBL18537495

CC1(C)c2cc(CCc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.39
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33

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
SCHEMBL13597530 0.89 ALDH1A1 (0.40) ALDH1A1DRD3CHRM2HTR1AADRA2A
SCHEMBL11887136 0.88 PDK2 (0.43) PDK2CA2CNR2
SCHEMBL19075301 0.88 GPR3 (0.45) PDK2ALDH1A1KCNH2
SCHEMBL14340185 0.87 PDK2 (0.42) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14340184 0.87 PDK2 (0.42) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10015452 0.87 PDK2 (0.42) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29512237 0.87 PDK2 (0.42) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14340192 0.87 PDK2 (0.42) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1103709 0.87 PDK2 (0.42) PDK2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14069771 0.87 PDK2 (0.42) PDK2ALDH1A1L3MBTL1MEN1KMT2A

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-3425692-B1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING AN ELECTRON INJECTION LAYER WITH ZERO-VALENT METAL NOVALED GMBH (DE) 2023-04-05 — — EP disclosed
EP-3133664-A1 TRIARYL AMINE THICK LAYER DOPED WITH METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) Novaled GmbH (DE) 2017-02-22 — — EP disclosed
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