SCHEMBL30690404

SCHEMBL30690404

CC(C)(C)c1ccc(N(c2ccccc2)c2ccc(C(C)(C)C)nc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ APP P05067 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CCR4 P51679 1/20 0.33
▸ CA12 O43570 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
SCHEMBL19104074 0.76 ALDH1A1 (0.42) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL12394115 0.75 L3MBTL1 (0.45) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL20053065 0.74 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL12462557 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL13720599 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL15746013 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL13720556 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL14069614 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL14163839 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL14163852 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2

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
CN-112279872-B Compound and application thereof, and organic electroluminescent device comprising compound 北京鼎材科技有限公司 2024-07-19 — — CN disclosed
CN-112028912-B Novel boron-containing organic electroluminescent material and application thereof 北京鼎材科技有限公司 2024-07-12 — — CN disclosed
CN-112028913-B Novel boron-containing organic electroluminescent material and application thereof 北京鼎材科技有限公司 2023-12-05 — — CN disclosed
Send feedback