SCHEMBL25840426

SCHEMBL25840426

O=C(CS)Nc1cccc(C(=O)NCCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
BACE1 P56817 3/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SENP1 Q9P0U3 1/20 0.55
MAPT P10636 2/20 0.52

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
SCHEMBL25840295 0.88 NPC1 (0.54) LMNAHDAC2HDAC8HDAC6HDAC3
SCHEMBL25841169 0.84 LMNA (0.65) LMNAHDAC2HDAC8HDAC6HDAC3
SCHEMBL11506513 0.81 L3MBTL1 (0.52) LMNAALDH1A1HPGDSMN1; SMN2SENP1
SCHEMBL11506454 0.80 L3MBTL1 (0.51) LMNAALDH1A1HPGDSMN1; SMN2SENP1
Ammonia Solution, Strong SCHEMBL11506059 0.80 L3MBTL1 (0.51) LMNAALDH1A1HPGDSMN1; SMN2SENP1
Ammonia Solution, Strong SCHEMBL11506055 0.80 L3MBTL1 (0.51) LMNAALDH1A1HPGDSMN1; SMN2SENP1
SCHEMBL11506019 0.80 L3MBTL1 (0.51) LMNAALDH1A1HPGDSMN1; SMN2SENP1
SCHEMBL6842122 0.78 HDAC2 (0.80) LMNAHDAC2HDAC8HDAC6HDAC3
SCHEMBL7930578 0.78 L3MBTL1 (0.72) LMNARAB9AALDH1A1HPGDMAPT
SCHEMBL11508333 0.77 SMN1; SMN2 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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