SCHEMBL30879375

SCHEMBL30879375

O=[N+]([O-])c1ccc(Oc2cccnc2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 7/20 0.62
LMNA P02545 4/20 0.62
HTT P42858 1/20 0.62
PDE7A Q13946 1/20 0.59
ALDH1A1 P00352 8/20 0.55
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
HPGD P15428 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
SCHEMBL4033756 1.00 MEN1 (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL1446664 0.84 LMNA (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29888811 0.84 LMNA (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2644891 0.84 LMNA (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29527091 0.83 LMNA (0.69) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4029870 0.83 PDE7A (0.73) MEN1KMT2AMAPTLMNAPDE7A
SCHEMBL5565241 0.83 HTT (0.60) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2031919 0.82 PDE7A (0.60) MEN1KMT2AMAPTLMNAPDE7A
SCHEMBL8395820 0.82 LMNA (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2028774 0.81 LMNA (0.62) MEN1KMT2AMAPTLMNAHTT

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-117980309-A Tricyclic fused pyrimidine compounds useful as HER2 inhibitors 百时美施贵宝公司 2024-05-03 CN disclosed