SCHEMBL29239402

SCHEMBL29239402

CN(C)Cc1cc(Br)cc(OC(N)=O)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29239420 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL29239405 0.72
SCHEMBL29150549 0.71 PARP1 (0.31) NCEH1
SCHEMBL28876608 0.70 ALDH1A1 (0.35) KDM4EALDH1A1MEN1CYP2D6KMT2A
SCHEMBL23089459 0.69 SORT1 (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL23107361 0.66 LCK (0.41)
SCHEMBL28662506 0.66 NOTUM (0.35) MEN1KMT2A
SCHEMBL28657545 0.66 NOTUM (0.35) MEN1KMT2A
SCHEMBL28666518 0.66 KMT2A (0.34) KDM4EALDH1A1MEN1KMT2A
SCHEMBL11038511 0.64 MEN1 (0.35) MEN1KMT2A

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-117915912-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-04-19 CN disclosed