SCHEMBL29539062

SCHEMBL29539062

CCOc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 6/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 6/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
NPBWR1 P48145 1/20 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
SCHEMBL27174560 1.00 KDM4E (0.36) KDM4EGLAGAACYP1A2CYP2C9
SCHEMBL29539198 0.83 KDM4E (0.41) KDM4EGLAGAACYP1A2MAPT
SCHEMBL24316556 0.83 KDM4E (0.41) KDM4EGLAGAACYP1A2MAPT
SCHEMBL24316797 0.83 KDM4E (0.38) KDM4EGLAGAACYP1A2MAPT
SCHEMBL24316808 0.75 POLB (0.41) KDM4EGLAGAAMAPTPRMT5
SCHEMBL24316804 0.74 KDM4E (0.35) KDM4EGLAGAATHRBALDH1A1
SCHEMBL24316426 0.74 CSF1R (0.46) KDM4EGLAGAA
SCHEMBL11799473 0.72 MAPT (0.43) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL24316434 0.71 CSF1R (0.53) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL24316624 0.71 KDM4E (0.36) KDM4EGLAGAACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4214198-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2023-07-26 EP disclosed
CN-116323582-A Heteroaromatic ring compounds and uses thereof 和记黄埔医药(上海)有限公司 2023-06-23 CN disclosed
WO-2022057895-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-03-24 WO disclosed