SCHEMBL11277441

SCHEMBL11277441

N=C(N)Nc1ccc(C(=O)Oc2ccc(C(=O)OCC(=O)NCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
MAPT P10636 3/20 0.58
TSHR P16473 2/20 0.55
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NAMPT P43490 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL11276136 0.89 LMNA (0.48) HPGDMAPTTSHRMEN1KMT2A
SCHEMBL11276133 0.89 L3MBTL1 (0.46) HPGDMAPTTSHRMEN1KMT2A
SCHEMBL11277772 0.88 MEN1 (0.55) HPGDMAPTTSHRMEN1KMT2A
SCHEMBL11270592 0.88 LMNA (0.52) HPGDMAPTMEN1KMT2AL3MBTL1
SCHEMBL11270588 0.88 LMNA (0.52) HPGDMAPTMEN1KMT2AL3MBTL1
SCHEMBL11268529 0.83 ALDH1A1 (0.43) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL1648216 0.82 KMT2A (0.47) HPGDMAPTMEN1KMT2AL3MBTL1
SCHEMBL11267592 0.81 KMT2A (0.47) HPGDMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11264175 0.80 KLK7 (0.60) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11277245 0.80 MGLL (0.48) HPGDMAPTTSHRMEN1KMT2A

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