SCHEMBL8704635

SCHEMBL8704635

CCc1cc(NC(=O)N2CCN(c3cccc(OC(C)=O)c3)CC2)c(OC)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TP53 P04637 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
RBP4 P02753 1/20 0.45
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL8702972 0.91 KMT2A (0.48) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8703751 0.91 MAPT (0.48) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8703992 0.91 KMT2A (0.53) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8699350 0.90 KMT2A (0.53) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8700453 0.89 RBP4 (0.56) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8699871 0.89 GAA (0.48) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8704931 0.88 RBP4 (0.57) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL8703418 0.88 RBP4 (0.46) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL8703619 0.88 GAA (0.48) KMT2AGAAMAPTALDH1A1MAPK1
SCHEMBL6960671 0.86 KMT2A (0.47) KMT2AGAAMAPTALDH1A1MAPK1

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