SCHEMBL8699098

SCHEMBL8699098

CCc1cc(NC(=O)N2CCN(c3ccccc3F)CC2)c(Oc2ccccc2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.54
KMT2A Q03164 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 3/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2C P28335 1/20 0.45
HTR6 P50406 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL8704636 0.90 KMT2A (0.57) PANK3KMT2AL3MBTL1ATMPOLB
SCHEMBL8702850 0.89 PANK3 (0.56) PANK3KMT2AL3MBTL1ATMPOLB
SCHEMBL8701257 0.88 MAPT (0.52) KMT2AL3MBTL1MAPTHTR1AHTR1D
SCHEMBL8701082 0.85 KMT2A (0.43) KMT2AL3MBTL1POLBMAPTKDM4E
SCHEMBL8701040 0.85 MAPT (0.48) KMT2AL3MBTL1MAPTHTR1AHTR1D
SCHEMBL8703374 0.84 RBP4 (0.49) KMT2APOLBMAPTMEN1KDM4E
SCHEMBL8704961 0.84 KMT2A (0.49) KMT2AL3MBTL1POLBMAPTSMN1; SMN2
SCHEMBL8705266 0.83 KMT2A (0.52) PANK3KMT2APOLBNPSR1MAPT
SCHEMBL8702972 0.83 KMT2A (0.48) KMT2APOLBMAPTMEN1KDM4E
SCHEMBL8699082 0.83 KMT2A (0.48) KMT2APOLBMAPTSMN1; SMN2MEN1

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed