SCHEMBL11268529

SCHEMBL11268529

C=CCNC(=O)COC(=O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL11277920 0.90 KLK7 (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11276148 0.88 KMT2A (0.42) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11272864 0.88 KMT2A (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11272853 0.88 KMT2A (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11276142 0.88 KMT2A (0.38) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL1648216 0.84 KMT2A (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11277772 0.83 MEN1 (0.55) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11277441 0.83 HPGD (0.58) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11267592 0.83 KMT2A (0.47) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11277245 0.82 MGLL (0.48) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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-4310533-A INHIBITING PLASMIN AND-OR TRYSIN ACTIVITY ONO PHARMACEUTICAL CO., LTD. (JP) 1982-01-12 US disclosed