SCHEMBL7748873

SCHEMBL7748873

CN(C)[C@@H](CCC(=O)NC(=O)CNCc1cccc2ccccc12)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FOLH1 Q04609 1/20 0.44
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
DNM1 Q05193 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL7744266 0.89 KMT2A (0.43) KMT2AALDH1A1MEN1L3MBTL1FOLH1
SCHEMBL7748820 0.77 KMT2A (0.44) KMT2AALDH1A1MEN1L3MBTL1FOLH1
SCHEMBL7748818 0.77 KMT2A (0.44) KMT2AALDH1A1MEN1L3MBTL1FOLH1
SCHEMBL7393110 0.72 KMT2A (0.50) KMT2AALDH1A1MEN1L3MBTL1TDP1
SCHEMBL181325 0.71 TDP1 (0.61) KMT2AALDH1A1MEN1L3MBTL1FOLH1
SCHEMBL8439130 0.70 FNTA (0.63) KMT2AALDH1A1MEN1L3MBTL1FOLH1
SCHEMBL7751346 0.70 FNTA (0.63) KMT2AALDH1A1MEN1L3MBTL1FOLH1
SCHEMBL8307349 0.69 KMT2A (0.40) KMT2AALDH1A1MEN1L3MBTL1FOLH1
SCHEMBL8308110 0.69 FOLH1 (0.47) KMT2AALDH1A1MEN1L3MBTL1FOLH1
SCHEMBL4679636 0.68 ATM (0.55) KMT2AALDH1A1MEN1L3MBTL1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP disclosed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed