SCHEMBL29078394

SCHEMBL29078394

COc1ccc(NC(=O)CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
POLB P06746 1/20 0.60
PABPC1 P11940 1/20 0.60
LMNA P02545 3/20 0.55
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.48
HTT P42858 4/20 0.48
MYD88 Q99836 1/20 0.48
GAA P10253 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
SCHEMBL29078389 0.90 MYD88 (0.60) MEN1KMT2APOLBPABPC1LMNA
SCHEMBL29078413 0.88 LMNA (0.60) MEN1KMT2APOLBPABPC1LMNA
SCHEMBL29078372 0.87 ALDH1A1 (0.61) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30585261 0.87 ALDH1A1 (0.61) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30585251 0.86 MEN1 (0.65) MEN1KMT2APOLBPABPC1LMNA
SCHEMBL29078382 0.86 MEN1 (0.65) MEN1KMT2APOLBPABPC1LMNA
SCHEMBL29078361 0.79 MYD88 (0.55) MEN1KMT2APOLBPABPC1LMNA
SCHEMBL29078402 0.75 ALDH1A1 (0.62) MEN1KMT2APOLBPABPC1LMNA
SCHEMBL30585270 0.75 ALDH1A1 (0.46) MEN1KMT2APOLBPABPC1LMNA
SCHEMBL3147424 0.74 ALDH1A1 (0.60) MEN1KMT2APOLBLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116803981-A Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof 温州医科大学 2023-09-26 CN claimed
CN-116803981-A Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof 温州医科大学 2023-09-26 CN disclosed