SCHEMBL6716129

SCHEMBL6716129

CCNc1nc(NCC)nc(N(CC)CC)n1.CCNc1nc(NCC)nc(NCC)n1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.52
ALDH1A1 P00352 5/20 0.47
CREBBP Q92793 2/20 0.47
POLB P06746 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 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
SCHEMBL761988 1.00 GAA (0.61) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL762576 0.95 GAA (0.55) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL14557570 0.90 GAA (0.52) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL9333895 0.86 GAA (0.47) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL8537334 0.86 LMNA (0.64) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL65969 0.86 LMNA (0.64) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL98819 0.86 GAA (0.52) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL9015787 0.85 L3MBTL1 (0.46) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL27797742 0.83 LMNA (0.60) GAAL3MBTL1CYP1A2CYP2C19KDM4E
SCHEMBL11328750 0.82 L3MBTL1 (0.43) GAAL3MBTL1CYP1A2CYP2C19KDM4E

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
US-20040200993-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2004-10-14 US claimed
US-20030168629-A1 Reactive liquid polymer crosslinking agent and process for preparation LCB WORLDWIDE, INC. 2003-09-11 US claimed