SCHEMBL11268601

SCHEMBL11268601

CCCCCCNC(=O)COC(=O)C=Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
NTSR1 P30989 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
APP P05067 1/20 0.40

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
SCHEMBL11268595 1.00 KMT2A (0.45) KMT2AMEN1KDM4EALDH1A1SAE1
SCHEMBL11281443 0.96 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1SAE1
SCHEMBL11281436 0.96 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1SAE1
SCHEMBL11273090 0.88 MGLL (0.50) KMT2AMEN1ALDH1A1MGLLMAPT
SCHEMBL11277245 0.87 MGLL (0.48) KMT2AMEN1ALDH1A1MGLLMAPT
SCHEMBL11272864 0.85 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1NTSR1
SCHEMBL11272853 0.85 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1NTSR1
SCHEMBL11267592 0.84 KMT2A (0.47) KMT2AMEN1ALDH1A1MGLLMAPT
SCHEMBL11301990 0.84 SAE1 (0.56) KMT2AMEN1KDM4EALDH1A1SAE1
SCHEMBL11301991 0.84 SAE1 (0.56) KMT2AMEN1KDM4EALDH1A1SAE1

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