SCHEMBL8443262

SCHEMBL8443262

COC(=O)[C@H](C)N(NN1CCC(=O)C1)C(=O)CNCc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
DPP4 P27487 1/20 0.38
KCNA5 P22460 2/20 0.37
SCN5A Q14524 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
P2RX7 Q99572 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRL1 P41146 2/20 0.35
ATM Q13315 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL7748918 0.76 ALDH1A1 (0.45) LMNAALDH1A1KDM4ETDP1KMT2A
SCHEMBL7748913 0.76 ALDH1A1 (0.45) LMNAALDH1A1KDM4ETDP1KMT2A
SCHEMBL7393110 0.68 KMT2A (0.50) ALDH1A1TDP1DPP4KMT2AMEN1
SCHEMBL8305851 0.67 KMT2A (0.46) LMNAALDH1A1KDM4ETDP1KMT2A
SCHEMBL8305853 0.67 KMT2A (0.46) LMNAALDH1A1KDM4ETDP1KMT2A
SCHEMBL4679636 0.67 ATM (0.55) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL1731885 0.66 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1KMT2AMEN1
Hydrochloric Acid SCHEMBL8439823 0.66 ATM (0.54) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL8307349 0.66 KMT2A (0.40) ALDH1A1KDM4ETDP1KMT2AMEN1
Hydrochloric Acid SCHEMBL4226418 0.65 KMT2A (0.49) LMNAALDH1A1KDM4ETDP1DPP4

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