SCHEMBL28046102

SCHEMBL28046102

COc1ccc(CN2CCNC(C(=O)C=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
SIGMAR1 Q99720 2/20 0.44
MMP1 P03956 1/20 0.44
MMP13 P45452 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
SLC18A3 Q16572 2/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL28023906 0.88 MMP1 (0.46) KDM4ESIGMAR1MMP1MMP13POLB
SCHEMBL28036651 0.84 SIGMAR1 (0.46) KDM4ESIGMAR1PKM
SCHEMBL5191850 0.79 LTA4H (0.49) KDM4ESIGMAR1POLBPKMSLC18A3
SCHEMBL27465272 0.79 SIGMAR1 (0.45) KDM4ESIGMAR1
SCHEMBL28257743 0.77 KDM4E (0.68) KDM4E
SCHEMBL28043174 0.76 KDM4E (0.49) KDM4ESIGMAR1SLC18A3
SCHEMBL27511718 0.76 SIGMAR1 (0.47) SIGMAR1SMN1; SMN2
SCHEMBL27486296 0.76 SIGMAR1 (0.47) SIGMAR1SMN1; SMN2
SCHEMBL21262108 0.74 SIGMAR1 (0.49) SIGMAR1POLBPKMSMN1; SMN2
SCHEMBL27739345 0.73 MAPT (0.43) SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105229013-A Epidithio-dioxypiperazine piperazine compound or its derivative, and uses thereof EWHA IND COLLABORATION 2016-01-06 CN disclosed