SCHEMBL5083225

SCHEMBL5083225

CCCCCCOc1ccccc1C(=O)NN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
LMNA P02545 2/20 0.73
NR1I2 O75469 2/20 0.73
CHRM2 P08172 2/20 0.73
OPRK1 P41145 2/20 0.73
HTR2B P41595 2/20 0.73
SLC6A3 Q01959 2/20 0.73
CYP3A4 P08684 2/20 0.73
ADRA2A P08913 1/20 0.73
MAPT P10636 1/20 0.73
HDAC6 Q9UBN7 1/20 0.73
NPSR1 Q6W5P4 1/20 0.65
CNR1 P21554 2/20 0.60
FAAH O00519 1/20 0.60
CNR2 P34972 1/20 0.60
CTSD P07339 1/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 3/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL10257995 0.94 MEN1 (0.68) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL16464436 0.89 MEN1 (0.69) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL7956531 0.88 KMT2A (0.68) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL28907971 0.88 MEN1 (0.68) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL19248825 0.88 KMT2A (0.68) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL9425861 0.88 MEN1 (0.68) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL7956527 0.87 KMT2A (0.67) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL6131322 0.87 KMT2A (0.67) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL7954452 0.86 NPSR1 (0.67) KMT2AMEN1LMNANR1I2CHRM2
SCHEMBL3557825 0.86 MEN1 (0.58) KMT2AMEN1LMNANR1I2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919858-A2 MANAGEMENT OF OPHTHALMOLOGIC DISORDERS, INCLUDING MACULAR DEGENERATION The President and Fellows of Harvard College (US) 2008-05-14 EP disclosed
WO-2007019503-A2 MANAGEMENT OF OPHTHALMOLOGIC DISORDERS, INCLUDING MACULAR DEGENERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-02-15 WO disclosed