SCHEMBL30701084

SCHEMBL30701084

Cc1ccc(C2c3ccccc3N(C)c3cc(O)ccc32)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ PKM P14618 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
Perchlorate SCHEMBL30827056 0.73 HDAC4 (0.37) CYP1A2LMNAMEN1KMT2AALDH1A1
SCHEMBL2200369 0.72 CHEK1 (0.40) CYP1A2LMNAMEN1KMT2AHDAC4
SCHEMBL3368568 0.71 ESR2 (0.47) CYP1A2CYP2C19LMNAMEN1KMT2A
SCHEMBL17721452 0.70 TP53 (0.50) CYP1A2CYP2C19LMNAMEN1KMT2A
SCHEMBL10228791 0.70 TP53 (0.50) CYP1A2CYP2C19LMNAMEN1KMT2A
SCHEMBL14154058 0.69 CHEK1 (0.50) LMNAMEN1KMT2AHDAC4HDAC7
Perchlorate SCHEMBL30296132 0.69 HDAC4 (0.38) LMNAMEN1KMT2AHDAC4HDAC7
SCHEMBL28383957 0.68 CHEK1 (0.36) LMNAMEN1KMT2AHDAC4HDAC7
SCHEMBL18674333 0.67 LMNA (0.49) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL12901940 0.66 MAOA (0.43) CYP1A2LMNAMEN1KMT2AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088813-A Azaanthracene fluorescent dye and preparation method thereof 岱纳科技(北京)有限公司 2023-11-21 — — CN disclosed
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