SCHEMBL25817645

SCHEMBL25817645

O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccccc2)ccc1S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 5/20 0.44
CASP3 P42574 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
DCLRE1A Q6PJP8 1/20 0.42
DCLRE1B Q9H816 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 3/20 0.41
HPGD P15428 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL2570214 0.79 CHRM5 (0.56) MAPTSMN1; SMN2CASP3
SCHEMBL5697024 0.79 MAPT (0.54) MAPTSMN1; SMN2KMT2ACASP3PDCD1
SCHEMBL2567485 0.75 RXFP1 (0.55) MAPTKMT2ACASP3PDCD1CD274
SCHEMBL2566840 0.75 MAPT (0.43) MAPTSMN1; SMN2KMT2ACASP3PDCD1
SCHEMBL1691386 0.75 CASP3 (0.68) MAPTSMN1; SMN2KMT2ACASP3NPSR1
SCHEMBL2806608 0.74 MEN1 (0.49) MAPTSMN1; SMN2KMT2ACASP3MEN1
SCHEMBL10343741 0.73 DCLRE1B (0.51) MAPTSMN1; SMN2DCLRE1ADCLRE1BHPGD
SCHEMBL2570879 0.72 CASP3 (0.44) KMT2ACASP3KDM4ERECQLHPGD
SCHEMBL24253032 0.72 PDCD1 (0.65) MAPTSMN1; SMN2KMT2ACASP3PDCD1
SCHEMBL24253049 0.72 MAPT (0.45) MAPTSMN1; SMN2KMT2ACASP3PDCD1

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-4210453-A2 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2023-07-12 EP disclosed