SCHEMBL28758480

SCHEMBL28758480

CN1c2ccccc2SC1c1c(C=O)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GSK3B P49841 2/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33
▸ HDAC5 Q9UQL6 2/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL11886347 0.81 KDM4E (0.44) KDM4EMEN1KMT2ALMNAHTT
SCHEMBL4626754 0.79 KDM4E (0.46) KDM4EMEN1KMT2ALMNAPABPC1
SCHEMBL29023301 0.79 KDM4E (0.43) KDM4EMEN1KMT2AHTTGSK3B
SCHEMBL19267117 0.70 KDM4E (0.44) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3731249 0.70 ALOX5 (0.35) KDM4ESMN1; SMN2GSK3BALDH1A1
SCHEMBL4625872 0.69 KDM4E (0.33) KDM4EMEN1KMT2ASMN1; SMN2GSK3B
SCHEMBL15947423 0.67 SMN1; SMN2 (0.35) KDM4EMEN1KMT2ASMN1; SMN2GSK3B
SCHEMBL4015059 0.67 ALDH1A1 (0.35) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3743379 0.67 DRD2 (0.39) KDM4ESMN1; SMN2GSK3BALDH1A1BCHE
SCHEMBL30986852 0.66 MAOA (0.41) KDM4ESMN1; SMN2GSK3BALDH1A1

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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