SCHEMBL7795019

SCHEMBL7795019

CCCCc1ccc(N2CCN(C(=S)Nc3nc4ccccc4nc3OC)CC2)cc1.COc1nc2ccccc2nc1NC(=S)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
PDGFRB P09619 1/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6560443 0.92 MAPT (0.50) MAPTKDM4EHTTGAAMEN1
SCHEMBL7803116 0.84 KMT2A (0.46) MAPTKDM4EKMT2ALMNA
SCHEMBL6560818 0.82 PDGFRB (0.49) MAPTKDM4EMEN1KMT2APDGFRB
SCHEMBL6562602 0.77 PHGDH (0.57) MAPTHTTGAAMEN1POLB
SCHEMBL6559651 0.76 L3MBTL1 (0.40) MAPTKDM4EHTTGAAMEN1
SCHEMBL6559655 0.76 MAPT (0.61) MAPTKDM4EHTTGAAMEN1
SCHEMBL6561321 0.75 KMT2A (0.52) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL6562659 0.74 PHGDH (0.54) MEN1POLBKMT2A
SCHEMBL6560454 0.73 PHGDH (0.46) MAPTKDM4EGAAMEN1POLB
SCHEMBL6559635 0.73 ALDH1A1 (0.61) MAPTKDM4EGAAMEN1KMT2A

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-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed