SCHEMBL28867964

SCHEMBL28867964

NC(=O)NC(N)CC[C@@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
GSR P00390 2/20 0.46
CYP1A2 P05177 2/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIK1 P39086 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46

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
SCHEMBL28867965 1.00 KMT2A (0.50) KMT2AALOX15BLMPMP22GSR
SCHEMBL28283224 0.83 PMP22 (0.47) KMT2AALOX15BLMPMP22GSR
SCHEMBL28736457 0.79 KMT2A (0.47) KMT2AALOX15BLMPMP22GSR
SCHEMBL4299759 0.79 NOS2 (0.42) KMT2AALOX15BLMPMP22GSR
SCHEMBL602426 0.78 GSR (0.68) KMT2AALOX15BLMPMP22GSR
SCHEMBL8068164 0.78 GSR (0.68) KMT2AALOX15BLMPMP22GSR
SCHEMBL20528887 0.76 GRIK1 (0.41) KMT2AALOX15BLMPMP22GSR
SCHEMBL20528885 0.76 GRIK1 (0.41) KMT2AALOX15BLMPMP22GSR
SCHEMBL30433632 0.76 GRIK1 (0.41) KMT2AALOX15BLMPMP22GSR
Hydrochloric Acid SCHEMBL11780148 0.75 GSR (0.65) KMT2AALOX15BLMPMP22GSR

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
CN-115212164-A Preparation method of nitric oxide sustained-release gel 南京庭布苏新型材料研究院有限公司 2022-10-21 CN claimed
CN-115212164-A Preparation method of nitric oxide sustained-release gel 南京庭布苏新型材料研究院有限公司 2022-10-21 CN disclosed