SCHEMBL3902204

SCHEMBL3902204

O=C(O)C1CC1c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
UBE2M P61081 6/20 0.43
DCUN1D1 Q96GG9 6/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL1580583 0.87 KMT2A (0.46) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL11012013 0.84 KMT2A (0.47) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL11017506 0.84 KMT2A (0.47) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL11017509 0.84 KMT2A (0.47) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL11012767 0.76 KMT2A (0.51) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL907510 0.76 KMT2A (0.51) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL11012763 0.76 KMT2A (0.51) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL19781780 0.76 MEN1 (0.53) ALDH1A1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL16615584 0.75 RAB9A (0.51) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL11012384 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1UBE2MDCUN1D1

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-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed