SCHEMBL7744266

SCHEMBL7744266

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPK8 P45983 3/20 0.39
MAPK9 P45984 3/20 0.39
MAPK10 P53779 3/20 0.39
FOLH1 Q04609 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
SCHEMBL7748873 0.89 KMT2A (0.45) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL8307349 0.78 KMT2A (0.40) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL8304651 0.72 FNTA (0.53) KMT2A
SCHEMBL8304649 0.72 FNTA (0.53) KMT2A
SCHEMBL4679636 0.71 ATM (0.55) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL7393110 0.70 KMT2A (0.50) KMT2AMEN1ALDH1A1L3MBTL1ATM
Hydrochloric Acid SCHEMBL8439823 0.70 ATM (0.54) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL7749727 0.70 OPRK1 (0.48) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL7748820 0.69 KMT2A (0.44) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL7748818 0.69 KMT2A (0.44) KMT2AMEN1ALDH1A1L3MBTL1KDM4E

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-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP claimed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO claimed
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