SCHEMBL27528601

SCHEMBL27528601

Cc1c(O)nc(C=O)c(C#N)c1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
UPP1 Q16831 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7238065 0.76 ALDH1A1 (0.36) KDM4EMEN1MAPTKMT2AUPP1
SCHEMBL22890865 0.74 ALDH1A1 (0.44) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL10728519 0.70 KDM4E (0.44) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL22890044 0.69 RECQL (0.49) KDM4EALDH1A1GAAHPGD
SCHEMBL19734735 0.66 ALDH1A1 (0.43) KDM4EMEN1MAPTKMT2AUPP1
SCHEMBL23031757 0.62 KDM4E (0.40) KDM4EMEN1MAPTKMT2AUPP1
SCHEMBL22890491 0.62 LRRK2 (0.43) KDM4EALDH1A1GAAHPGD
SCHEMBL27869874 0.62 MAPK1 (0.37) MAPTALDH1A1
Water SCHEMBL28241249 0.61 ALDH1A1 (0.39) KDM4EMEN1MAPTKMT2AUPP1
SCHEMBL2154732 0.61 ALDH1A1 (0.39) KDM4EMEN1MAPTKMT2AUPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229099-C Use of reactive dyes for dyeing hair BASF AG (DE) 2005-11-30 CN disclosed
CN-1104471-C Double reactive dyes BASF AG (DE) 2003-04-02 CN disclosed
CN-1104472-C Reactive dyes with heterocyclic anchor BASF AG (DE) 2003-04-02 CN disclosed
CN-1072235-C Process for preparing dyed melamine-formaldehyde condensation products BASF AG (DE) 2001-10-03 CN disclosed
CN-1268156-A Double reactive dyes BASF AG (DE) 2000-09-27 CN disclosed
CN-1264284-A Application of reactive dye in hair dyeing BASF AG (DE) 2000-08-23 CN disclosed
CN-1239493-A Reactive dyes with heterocyclic anchor points BASF AG (DE) 1999-12-22 CN disclosed
CN-1171122-A Method for producing colored melamine-formaldehyde polycondensates BASF AG (DE) 1998-01-21 CN disclosed