SCHEMBL25837115

SCHEMBL25837115

CC(=O)NCCNC(=O)c1cc(C(C)=O)cc(C(=O)NCCNC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
NTRK2 Q16620 1/20 0.40
CA5A P35218 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
SCHEMBL25837113 0.82 KDM4E (0.58) RAB9AMAPTMEN1KMT2ARXFP1
SCHEMBL19982707 0.79 SMN1; SMN2 (0.43) RAB9AMAPTMEN1KMT2ARXFP1
SCHEMBL16317402 0.79 SMN1; SMN2 (0.43) RAB9AMAPTMEN1KMT2ARXFP1
SCHEMBL5662781 0.78 SMN1; SMN2 (0.66) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL18459982 0.77 L3MBTL1 (0.47) RAB9AMEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL16248437 0.76 LMNA (0.70) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL5655124 0.75 MAPK1 (0.68) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL28729389 0.75 KMT2A (0.43) RAB9AMAPTMEN1KMT2ARXFP1
SCHEMBL12301918 0.74 LMNA (0.73) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5846951 0.74 SMN1; SMN2 (0.60) RAB9AMEN1KMT2ASMN1; SMN2NPC1

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
WO-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed