SCHEMBL27645758

SCHEMBL27645758

CC(=O)c1ccccc1C1Sc2ccccc2N1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.39
▸ NOX1 Q9Y5S8 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ MYLK Q15746 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PPARG P37231 1/20 0.35
▸ NOTUM Q6P988 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MYC P01106 2/20 0.34

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
SCHEMBL17399090 0.78 MYLK (0.38) BCHEHDAC4HDAC7HDAC5MYLK
SCHEMBL3738688 0.77 MAPT (0.47) BCHENOX1HDAC4HDAC7HDAC5
SCHEMBL11886360 0.76 MAOA (0.37) BCHEHDAC4HDAC7HDAC5LMNA
SCHEMBL29023301 0.76 KDM4E (0.43) BCHENOX1HDAC4HDAC7HDAC5
Bromide SCHEMBL27619257 0.75 MAPT (0.46) BCHENOX1HDAC4HDAC7HDAC5
SCHEMBL25953955 0.75 RAB9A (0.38) LMNAALDH1A1KDM4ENPC1HPGD
SCHEMBL12531910 0.74 HDAC4 (0.47) HDAC4HDAC7HDAC5LMNAL3MBTL1
SCHEMBL19061114 0.72 KDM4E (0.37) BCHEMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL19675523 0.71 NOX1 (0.44) BCHENOX1HDAC4HDAC7HDAC5
SCHEMBL30986852 0.71 MAOA (0.41) ALDH1A1KDM4ENPC1HPGDRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882307-A Method for dyeing fibres containing keratine HENKEL KGAA (DE) 2006-12-20 — — CN claimed
CN-1882307-A Method for dyeing fibres containing keratine HENKEL KGAA (DE) 2006-12-20 — — CN disclosed
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