SCHEMBL31027428

SCHEMBL31027428

N#Cc1cc2cc(C=O)ccc2n1CCN1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 2/20 0.39
▸ SCN5A Q14524 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ CYP2A6 P11509 2/20 0.35
▸ HRH2 P25021 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ GAA P10253 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CASP1 P29466 2/20 0.31

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
SCHEMBL31027433 1.00 SCN7A (0.39) SCN7ASCN5ASCN2ASCN8ACYP2A6
SCHEMBL30406507 0.83 MEN1 (0.37) SCN7ASCN5ASCN2ASCN8ACYP2A6
SCHEMBL31027384 0.70 MEN1 (0.39) HRH2HRH1HRH3MEN1ALDH1A1
SCHEMBL24993899 0.62 KMO (0.61) —
SCHEMBL31271107 0.61 KDM4E (0.47) ALDH1A1GAAKDM4EMAPT
SCHEMBL1663338 0.60 SIGMAR1 (0.59) HRH3MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL19687586 0.60 MEN1 (0.46) MEN1ALDH1A1GAAHPGDKDM4E
SCHEMBL31611878 0.60 HTR3E (0.63) SMN1; SMN2ALDH1A1SLC6A4KDM4EMAPT
Hydrochloric Acid SCHEMBL28629993 0.59 CXCR4 (0.60) HRH3MEN1KMT2ASIGMAR1
SCHEMBL19687594 0.59 ESR1 (0.40) SCN7ASCN5ASCN2ASCN8AMEN1

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-118647378-A Inhibitors of Mei Nen protein interaction with MLL 巴拉疗法公司 2024-09-13 — — CN disclosed
Send feedback