SCHEMBL28100588

SCHEMBL28100588

COC(=O)c1cc(C(=O)O)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.60
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ ALOX15 P16050 1/20 0.55
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ PDE10A Q9Y233 1/20 0.54
▸ DHODH Q02127 2/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ POLB P06746 3/20 0.50

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
SCHEMBL72379 0.92 KDM4E (0.70) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL5396165 0.88 KDM4E (0.68) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL28046848 0.85 KDM4E (0.55) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL69125 0.83 KDM4E (0.64) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL29450085 0.83 KDM4E (0.64) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL28568288 0.83 KDM4E (0.52) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL2467305 0.83 ALDH1A1 (0.65) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL31389316 0.83 KDM4E (0.54) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL561686 0.83 KDM4E (0.54) KDM4EMEN1KMT2AALOX15LMNA
SCHEMBL6605024 0.82 KDM4E (0.65) KDM4EMEN1KMT2ALMNADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074814-A Glucose transport inhibitor 拜耳制药股份公司 2017-08-18 — — CN disclosed
CN-106687455-A Glucose transport inhibitors 拜耳制药股份公司 2017-05-17 — — CN disclosed
CN-106380446-A Synthesis method of quinoline-2-formic acid ester derivatives 南阳师范学院 2017-02-08 — — CN disclosed
CN-106366035-A Method for synthesizing quinoline derivative 南阳师范学院 2017-02-01 — — CN disclosed
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 — — CN disclosed
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