SCHEMBL7761464

SCHEMBL7761464

O=C(CNC(=O)OCc1ccccc1)Nc1ccc(C(=O)OCCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
RAB9A P51151 3/20 0.60
GAA P10253 1/20 0.60
KDM1A O60341 1/20 0.58
RCOR1 Q9UKL0 1/20 0.58
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49
ELANE P08246 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL7758133 0.87 KDM1A (0.59) KMT2ARAB9AGAAKDM1ARCOR1
SCHEMBL7758912 0.86 KDM1A (0.64) KMT2ARAB9AGAAKDM1ARCOR1
SCHEMBL7315510 0.85 KDM1A (0.67) KMT2ARAB9AGAAKDM1ARCOR1
SCHEMBL7624965 0.83 KDM1A (0.67) KMT2ARAB9AGAAKDM1ARCOR1
SCHEMBL11925397 0.81 KDM1A (0.64) KMT2ARAB9AGAAKDM1ARCOR1
SCHEMBL7758148 0.81 ATM (0.54) KMT2ARAB9AGAAMEN1LMNA
SCHEMBL7485457 0.81 KMT2A (0.75) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL7761543 0.80 LMNA (0.47) KMT2ARAB9AGAANPC1LMNA
SCHEMBL10916834 0.79 KMT2A (0.76) KMT2ARAB9AGAAMEN1NPC1
SCHEMBL9635671 0.79 POLB (0.74) KDM1ARCOR1LMNAALDH1A1HTT

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
WO-2001062242-A1 PRODRUGS OF SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2001-08-30 WO disclosed