SCHEMBL8307349

SCHEMBL8307349

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 2/20 0.39
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
FOLH1 Q04609 1/20 0.38
SMPD1 P17405 1/20 0.38
MTNR1A P48039 2/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL7748818 0.90 KMT2A (0.44) KMT2AALDH1A1KDM4ETDP1MEN1
SCHEMBL7748820 0.90 KMT2A (0.44) KMT2AALDH1A1KDM4ETDP1MEN1
SCHEMBL7744266 0.78 KMT2A (0.43) KMT2AALDH1A1KDM4ETDP1ATM
SCHEMBL7393110 0.75 KMT2A (0.50) KMT2AALDH1A1TDP1ATMMEN1
SCHEMBL7748913 0.72 ALDH1A1 (0.45) KMT2AALDH1A1KDM4ETDP1ATM
SCHEMBL7748918 0.72 ALDH1A1 (0.45) KMT2AALDH1A1KDM4ETDP1ATM
SCHEMBL4679636 0.71 ATM (0.55) KMT2AALDH1A1KDM4ETDP1ATM
SCHEMBL1731885 0.70 ALDH1A1 (0.50) KMT2AALDH1A1KDM4ETDP1ATM
Hydrochloric Acid SCHEMBL8439823 0.70 ATM (0.54) KMT2AALDH1A1KDM4ETDP1ATM
SCHEMBL7748873 0.69 KMT2A (0.45) KMT2AALDH1A1KDM4ETDP1ATM

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 2 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