SCHEMBL28840649

SCHEMBL28840649

C[C@H]1Nc2ccccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EP300 Q09472 1/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 3/20 0.44
ELANE P08246 2/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
EGFR P00533 1/20 0.44
HTT P42858 1/20 0.44
PAX8 Q06710 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL31039937 1.00 POLB (0.49) POLBMEN1KMT2AEP300ALDH1A1
SCHEMBL28840652 1.00 POLB (0.49) POLBMEN1KMT2AEP300ALDH1A1
SCHEMBL28840093 0.83 LMNA (0.45) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL28840089 0.83 LMNA (0.45) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL31039934 0.83 LMNA (0.45) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL31039940 0.83 MEN1 (0.45) MEN1KMT2ACMA1BRD4MAPT
SCHEMBL28840092 0.83 MEN1 (0.45) MEN1KMT2ACMA1BRD4MAPT
SCHEMBL28840087 0.83 MEN1 (0.45) MEN1KMT2ACMA1BRD4MAPT
SCHEMBL5059044 0.82 ALDH1A1 (0.51) POLBMEN1KMT2AEP300ALDH1A1
SCHEMBL13879443 0.82 KMT2A (0.53) POLBMEN1KMT2AEP300ALDH1A1

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-114907277-A Process for asymmetric hydrogenation of quinoxalinones 哈尔滨工业大学(深圳) 2022-08-16 CN disclosed