SCHEMBL6965287

SCHEMBL6965287

C[CH]c1cc(NC(=O)N2CCN(c3cc(OC)cc(OC)c3)CC2)c(OC)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
PHGDH O43175 1/20 0.44
RBP4 P02753 1/20 0.42
NAMPT P43490 1/20 0.41
S1PR2 O95136 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN7 P35236 1/20 0.40
PI4KB Q9UBF8 1/20 0.40

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
SCHEMBL6966881 0.91 KMT2A (0.46) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6965802 0.91 KMT2A (0.41) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6954279 0.88 KMT2A (0.49) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6960671 0.85 KMT2A (0.47) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6965181 0.85 MAPT (0.47) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6964108 0.84 KMT2A (0.45) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6955682 0.84 KMT2A (0.45) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6966159 0.84 MAPT (0.46) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL8089048 0.83 KMT2A (0.45) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL6562716 0.81 PHGDH (0.48) KMT2AGAAMAPTLMNAALDH1A1

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