SCHEMBL6188972

SCHEMBL6188972

CC(C)(CO)NC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL21342392 0.86 HPGD (0.75) HPGDKMT2AMEN1KDM4EL3MBTL1
SCHEMBL10982724 0.86 HPGD (0.75) HPGDKMT2AMEN1HDAC8HDAC6
SCHEMBL31117181 0.84 POLB (0.60) HPGDKMT2AMEN1HDAC8HDAC6
SCHEMBL10986259 0.83 MEN1 (0.59) HPGDKMT2AMEN1HDAC8HDAC6
SCHEMBL19649663 0.80 MEN1 (0.47) HPGDKMT2AMEN1HDAC8HDAC6
SCHEMBL11196739 0.80 MEN1 (0.55) HPGDKMT2AMEN1HDAC8HDAC6
SCHEMBL9828810 0.80 SHMT1 (0.61) HPGDKMT2AMEN1HDAC8HDAC6
SCHEMBL15651888 0.79 NAT1 (0.43) HPGDKMT2AKDM4EL3MBTL1LMNA
SCHEMBL25144167 0.79 HPGD (0.56) HPGDKMT2AMEN1HDAC8HDAC6
SCHEMBL9360320 0.79 P2RX7 (0.55) HPGDKMT2AMEN1HDAC8HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804437-B1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 2005-09-14 EP disclosed
US-5939415-A A!-annellated pyrrole derivatives and their use in pharmacology MERCKLE GMBH (DE) 1999-08-17 US disclosed
EP-0804437-A1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 1997-11-05 EP disclosed
WO-1995032971-A1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 1995-12-07 WO disclosed