SCHEMBL7748888

SCHEMBL7748888

CN(C)C(CCC(N)=O)(C(=O)O)C(=O)CNCc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
MTNR1A P48039 1/20 0.38
FOLH1 Q04609 1/20 0.37
DPP4 P27487 1/20 0.37
POLB P06746 2/20 0.36
MAPK8 P45983 2/20 0.36
CD38 P28907 1/20 0.36
CA2 P00918 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL7748879 1.00 KMT2A (0.42) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL7748818 0.72 KMT2A (0.44) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL7748820 0.72 KMT2A (0.44) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL7393110 0.71 KMT2A (0.50) KMT2AALDH1A1TDP1MEN1L3MBTL1
SCHEMBL181325 0.70 TDP1 (0.61) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL8307349 0.69 KMT2A (0.40) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL21447680 0.68 MC5R (0.51) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL4679636 0.67 ATM (0.55) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL2245801 0.66 FOLH1 (0.53) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL1386337 0.66 MTNR1A (0.76) KMT2ATDP1KDM4EMEN1MAPT

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 3 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-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed