SCHEMBL5487812

SCHEMBL5487812

Nc1ccccc1NOCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 11/20 0.40
▸ HDAC1 Q13547 10/20 0.40
▸ HDAC2 Q92769 10/20 0.40
▸ HDAC10 Q969S8 7/20 0.40
▸ HDAC6 Q9UBN7 7/20 0.40
▸ HDAC4 P56524 6/20 0.40
▸ HDAC7 Q8WUI4 6/20 0.40
▸ HDAC11 Q96DB2 6/20 0.40
▸ HDAC8 Q9BY41 6/20 0.40
▸ HDAC9 Q9UKV0 6/20 0.40
▸ HDAC5 Q9UQL6 6/20 0.40
▸ NCOR2 Q9Y618 5/20 0.40
▸ MAPT P10636 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ GAA P10253 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL26803231 0.82 MAPT (0.43) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL27841531 0.81 CYP1A2 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL6131913 0.78 MAPT (0.39) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL11699661 0.76 ALDH1A1 (0.45) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL16742379 0.75 ALDH1A1 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL24755747 0.74 MAPT (0.41) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL10697594 0.71 ALDH1A1 (0.46) MAPTGAAALDH1A1LMNACYP1A2
SCHEMBL10508182 0.70 MAPT (0.47) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL7375160 0.69 KDM4E (0.49) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL30128490 0.69 KDM4E (0.49) HDAC3HDAC1HDAC2HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1190182-C Intermediates for use in oxidative hair coloring P & G KLEROL INC (US) 2005-02-23 — — CN claimed
CN-1404384-A Novel primary intermediates for use in oxidative hair dyeing P & G KLEROL INC (US) 2003-03-19 — — CN claimed
US-7282067-B2 Composition for dyeing keratin fibres, containing an alcohol oxidase, and process using this composition L'OREAL (FR) 2007-10-16 — — US disclosed
CN-1190182-C Intermediates for use in oxidative hair coloring P & G KLEROL INC (US) 2005-02-23 — — CN disclosed
CN-1404384-A Novel primary intermediates for use in oxidative hair dyeing P & G KLEROL INC (US) 2003-03-19 — — CN disclosed
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