SCHEMBL11277772

SCHEMBL11277772

N=C(N)Nc1ccc(C(=O)Oc2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
MAPT P10636 7/20 0.55
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
PARP10 Q53GL7 1/20 0.48
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL11264175 0.89 KLK7 (0.60) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL11277441 0.88 HPGD (0.58) MEN1KMT2AMAPTGAATSHR
SCHEMBL11274623 0.87 RECQL (0.49) MEN1KMT2AMAPTUSP2GAA
SCHEMBL11274624 0.87 KMT2A (0.55) MEN1KMT2AMAPTUSP2GAA
SCHEMBL1648216 0.87 KMT2A (0.47) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL11275962 0.86 KMT2A (0.59) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL11275960 0.86 KMT2A (0.59) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL4104661 0.85 KMT2A (0.59) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10309162 0.85 KMT2A (0.63) MEN1KMT2AMAPTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL29825181 0.83 KMT2A (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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