SCHEMBL11724276

SCHEMBL11724276

CC(=O)OCCn1c(-c2ncc(C(C[N+](=O)[O-])OC(C)=O)[nH]2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ KDM4E B2RXH2 7/20 0.37
▸ HTT P42858 4/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASR P41180 1/20 0.34

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
SCHEMBL11724268 0.78 BRD4 (0.41) BRD4HRH1KDM4EHTTMEN1
SCHEMBL11724279 0.76 BRD4 (0.41) BRD4HRH1KDM4EHTTMEN1
SCHEMBL11725537 0.76 IRAK4 (0.38) BRD4KDM4EMAPTRXFP1LMNA
SCHEMBL11720098 0.74 KCNK13 (0.35) BRD4KDM4EHTTMEN1MAPT
SCHEMBL11724259 0.73 EGFR (0.41) BRD4HRH1KDM4EMEN1MAPT
SCHEMBL11723310 0.72 GLA (0.46) BRD4HRH1KDM4EMAPTLMNA
SCHEMBL501463 0.70 HPGD (0.69) HRH1KDM4ELMNAPKMNPSR1
SCHEMBL11669289 0.69 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL13587967 0.68 LMNA (0.57) HRH1KDM4EHTTLMNAPKM
SCHEMBL11669196 0.67 KDM4E (0.42) KDM4EMAPTKMT2ARXFP1POLB

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
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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