SCHEMBL25840295

SCHEMBL25840295

O=C(CCCc1ccccc1)NCCNC(=O)c1cccc(NC(=O)CS)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 3/20 0.53
SENP1 Q9P0U3 1/20 0.52
HDAC3 O15379 7/20 0.51
HDAC4 P56524 7/20 0.51
HDAC1 Q13547 7/20 0.51
HDAC7 Q8WUI4 7/20 0.51
HDAC2 Q92769 7/20 0.51
HDAC10 Q969S8 7/20 0.51
HDAC11 Q96DB2 7/20 0.51
HDAC8 Q9BY41 7/20 0.51
HDAC6 Q9UBN7 7/20 0.51
HDAC9 Q9UKV0 7/20 0.51
HDAC5 Q9UQL6 7/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL25840426 0.88 LMNA (0.65) NPC1RAB9ALMNASENP1HDAC3
SCHEMBL25841130 0.86 RAB9A (0.54) NPC1RAB9APOLBLMNASENP1
SCHEMBL25834927 0.78 GAA (0.51) NPC1RAB9APOLBLMNAHDAC6
SCHEMBL11506513 0.76 L3MBTL1 (0.52) POLBLMNASENP1MEN1KMT2A
SCHEMBL8115142 0.75 NPC1 (0.66) NPC1RAB9APOLBLMNAHDAC3
Ammonia Solution, Strong SCHEMBL11506059 0.74 L3MBTL1 (0.51) POLBLMNASENP1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL11506055 0.74 L3MBTL1 (0.51) POLBLMNASENP1MEN1KMT2A
SCHEMBL11506019 0.74 L3MBTL1 (0.51) POLBLMNASENP1MEN1KMT2A
SCHEMBL11506454 0.74 L3MBTL1 (0.51) POLBLMNASENP1MEN1KMT2A
SCHEMBL25841169 0.74 LMNA (0.65) NPC1RAB9ALMNASENP1HDAC3

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
EP-4212594-A1 WATER-SOLUBLE -CONJUGATED FLUORESCENT 1,1' -BINAPHTHYL-BASED TANDEM POLYMERS Miltenyi Biotec B.V. & Co. KG (DE) 2023-07-19 EP disclosed