SCHEMBL6963663

SCHEMBL6963663

CCCc1nc(OC)c(NC(=O)N2CCN(c3cccc(O)c3)CC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
HSD17B10 Q99714 3/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
RBP4 P02753 1/20 0.42
DRD2 P14416 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6958269 0.93 GAA (0.48) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL6953108 0.90 GAA (0.51) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL6956121 0.87 KMT2A (0.45) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL9057398 0.87 GAA (0.51) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL6956612 0.86 PHGDH (0.40) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL8699871 0.84 GAA (0.48) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL5396710 0.84 HCAR2 (0.48) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL6960154 0.80 GAA (0.48) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL6965432 0.80 KMT2A (0.53) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL6961290 0.79 KMT2A (0.46) GAAKMT2AMAPTALDH1A1LMNA

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