SCHEMBL6956121

SCHEMBL6956121

CCCc1nc(OC)c(NC(=O)N2CCN(c3cc(OC)cc(OC)c3)CC2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
PHGDH O43175 1/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RBP4 P02753 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MTNR1B P49286 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDGFRB P09619 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
SCHEMBL6961290 0.92 KMT2A (0.46) KMT2AGAAPHGDHMAPTALDH1A1
SCHEMBL6956612 0.91 PHGDH (0.40) KMT2AGAAPHGDHMAPTALDH1A1
SCHEMBL6958260 0.89 PHGDH (0.55) KMT2APHGDHALDH1A1LMNAMEN1
SCHEMBL5402705 0.89 HCAR2 (0.45) KMT2AGAAPHGDHMAPTALDH1A1
SCHEMBL6963663 0.87 GAA (0.46) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL8089048 0.86 KMT2A (0.45) KMT2AGAAPHGDHMAPTALDH1A1
SCHEMBL6954279 0.86 KMT2A (0.49) KMT2AGAAPHGDHMAPTALDH1A1
SCHEMBL6959667 0.83 PHGDH (0.42) KMT2AGAAPHGDHMAPTALDH1A1
SCHEMBL6960671 0.83 KMT2A (0.47) KMT2AGAAPHGDHMAPTALDH1A1
SCHEMBL5393937 0.82 HCAR2 (0.46) KMT2AGAAPHGDHMAPTALDH1A1

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed