SCHEMBL11073006

SCHEMBL11073006

O=C(c1ccccc1)C1Sc2ccccc2N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.41
▸ ACHE P22303 3/20 0.41
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EPHX1 P07099 1/20 0.33

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
SCHEMBL28034397 0.73 BCHE (0.38) BCHEACHELMNAHDAC6ALDH1A1
SCHEMBL16871129 0.73 GSK3B (0.40) BCHEACHELMNAGSK3BHPGD
SCHEMBL16871005 0.71 BCHE (0.35) BCHEACHELMNAMAPTGSK3B
SCHEMBL11326295 0.71 SMN1; SMN2 (0.40) BCHEACHELMNAGSK3BHPGD
SCHEMBL27536143 0.70 POLB (0.35) BCHEACHEGSK3BHPGDALDH1A1
SCHEMBL28115415 0.70 KDM4E (0.42) BCHEACHEHTTPKMHDAC6
SCHEMBL16470329 0.69 MAOA (0.36) GSK3BHPGDMEN1ALDH1A1KMT2A
SCHEMBL4983323 0.69 POLB (0.33) BCHEACHEGSK3BHPGDALDH1A1
SCHEMBL11388416 0.69 POLB (0.33) BCHEGSK3BHPGDALDH1A1SMN1; SMN2
SCHEMBL30436376 0.69 GAA (0.37) BCHEGSK3BHPGDALDH1A1SMN1; SMN2

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
US-4477635-A Polymeric triarylmethane dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-16 — — US disclosed
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