SCHEMBL5879712

SCHEMBL5879712

O=C(O)CC1c2ccccc2C(=O)N(CC(=O)N2CCN(c3ccncc3)CC2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 2/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
USP2 O75604 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 1/20 0.50
ITGB3 P05106 8/20 0.49
ITGAV P06756 8/20 0.49
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.45
TSHR P16473 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
SCHEMBL5879590 0.88 ITGB3 (0.54) KMT2AMEN1GAASMN1; SMN2KDM4E
SCHEMBL5879626 0.87 ITGB3 (0.48) SMN1; SMN2KDM4ECASP1CASP7USP2
SCHEMBL5879914 0.82 ITGB3 (0.47) KMT2AMEN1GAASMN1; SMN2KDM4E
SCHEMBL5879871 0.82 ALDH1A1 (0.50) KMT2AMEN1GAASMN1; SMN2KDM4E
SCHEMBL5879798 0.81 ALDH1A1 (0.49) KMT2AMEN1GAASMN1; SMN2KDM4E
SCHEMBL5879559 0.80 HTR1A (0.46) KMT2AMEN1GAASMN1; SMN2KDM4E
SCHEMBL5879653 0.79 ITGB3 (0.46) KMT2AMEN1GAASMN1; SMN2KDM4E
SCHEMBL5879536 0.77 ITGB3 (0.45) KDM4ECASP1CASP7USP2L3MBTL1
SCHEMBL5879654 0.77 ITGB3 (0.46) KDM4ECASP1CASP7USP2L3MBTL1
SCHEMBL5879557 0.76 ITGB3 (0.44) KDM4ECASP1CASP7USP2L3MBTL1

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed