SCHEMBL11277590

SCHEMBL11277590

CC(C(=O)OCC(=O)NC1CCCCC1)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL11285568 1.00 KMT2A (0.54) KMT2AMEN1POLBATMSMN1; SMN2
SCHEMBL11270218 0.99 KMT2A (0.55) KMT2AMEN1POLBATMSMN1; SMN2
SCHEMBL11272830 0.89 KMT2A (0.58) KMT2AMEN1POLBATMALDH1A1
SCHEMBL11278725 0.89 KMT2A (0.58) KMT2AMEN1POLBATMALDH1A1
SCHEMBL11270445 0.89 KMT2A (0.58) KMT2AMEN1POLBATMALDH1A1
SCHEMBL11282367 0.88 KMT2A (0.59) KMT2AMEN1POLBATML3MBTL1
SCHEMBL11284366 0.86 KMT2A (0.53) KMT2AMEN1POLBATMALDH1A1
SCHEMBL11282296 0.86 KMT2A (0.56) KMT2AMEN1POLBATML3MBTL1
SCHEMBL11285504 0.84 KMT2A (0.52) KMT2AMEN1POLBATMSMN1; SMN2
SCHEMBL11272631 0.84 SMN1; SMN2 (0.56) KMT2AMEN1POLBATMSMN1; 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