SCHEMBL28465323

SCHEMBL28465323

CC1c2[nH]c3ccccc3c2CCN1C(=O)CCN=[N+]=[N-]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 10/20 0.57
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ KIF11 P52732 1/20 0.48
▸ TP53 P04637 4/20 0.48
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ STAT3 P40763 1/20 0.47

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
SCHEMBL28464327 0.91 LMNA (0.58) LMNAMEN1KMT2AMAPTGAA
SCHEMBL28468254 0.84 KIF11 (0.52) LMNAMAPTKIF11TP53ABCG2
SCHEMBL29630294 0.83 LMNA (0.61) LMNAMEN1KMT2AMAPTGAA
SCHEMBL12831402 0.78 HDAC1 (0.61) LMNAMEN1KMT2AMAPTGAA
SCHEMBL28470333 0.78 LMNA (0.74) LMNAMEN1KMT2AMAPTGAA
SCHEMBL9401163 0.78 LMNA (0.70) LMNAMEN1KMT2AMAPTGAA
SCHEMBL28468251 0.75 MAPKAPK2 (0.52) KMT2AMAPTKIF11TP53ABCG2
SCHEMBL8372051 0.75 LMNA (0.69) LMNAMEN1KMT2AMAPTGAA
SCHEMBL17520528 0.73 LMNA (0.73) LMNAMEN1KMT2AMAPTGAA
SCHEMBL18688577 0.73 ADRA2C (0.53) LMNAMEN1KMT2AMAPTGAA

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-111675725-A Tetrahydro-beta-carbaline dimer and preparation method and application thereof 中国药科大学 2020-09-18 — — CN disclosed
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