SCHEMBL8305853

SCHEMBL8305853

C[C@@H](C(=O)O)N(C(=O)CNCc1cccc2ccccc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMPD2 O60906 1/20 0.42
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
FOLH1 Q04609 1/20 0.41
LMNA P02545 1/20 0.40
ANPEP P15144 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8305851 1.00 KMT2A (0.46) KMT2AALDH1A1TDP1KDM4ESMPD2
SCHEMBL7748918 0.89 ALDH1A1 (0.45) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL7748913 0.89 ALDH1A1 (0.45) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL7393110 0.76 KMT2A (0.50) KMT2AALDH1A1TDP1MEN1L3MBTL1
Hydrochloric Acid SCHEMBL4236114 0.75 KMT2A (0.48) KMT2AALDH1A1TDP1KDM4EMEN1
Hydrochloric Acid SCHEMBL4226418 0.75 KMT2A (0.49) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL181325 0.73 TDP1 (0.61) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL7748818 0.70 KMT2A (0.44) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL7748820 0.70 KMT2A (0.44) KMT2AALDH1A1TDP1KDM4EMEN1
SCHEMBL4679636 0.69 ATM (0.55) KMT2AALDH1A1TDP1KDM4EMEN1

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 disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO disclosed