SCHEMBL8723946

SCHEMBL8723946

NC(N)c1cccc(OCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
PRSS1 P07477 8/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL18765924 0.86 ALDH1A1 (0.48) ALDH1A1RECQLKDM4ETSHRSMN1; SMN2
SCHEMBL18765922 0.86 ALDH1A1 (0.48) ALDH1A1RECQLKDM4ETSHRSMN1; SMN2
SCHEMBL3967162 0.85 ALDH1A1 (0.47) ALDH1A1RECQLKDM4ETSHRSMN1; SMN2
SCHEMBL10513076 0.83 ALDH1A1 (0.46) ALDH1A1RECQLKDM4ETSHRSMN1; SMN2
SCHEMBL11573222 0.82 ALDH1A1 (0.49) ALDH1A1RECQLKDM4ESMN1; SMN2KMT2A
SCHEMBL7638337 0.82 KDM4E (0.62) ALDH1A1RECQLKDM4ETSHRSMN1; SMN2
SCHEMBL48418 0.80 ALDH1A1 (0.70) ALDH1A1RECQLTSHRKMT2APRSS1
SCHEMBL2776515 0.79 ALDH1A1 (0.53) ALDH1A1RECQLKDM4ETSHRSMN1; SMN2
SCHEMBL4307974 0.79 ALDH1A1 (0.48) ALDH1A1RECQLKDM4ETSHRSMN1; SMN2
SCHEMBL2207862 0.79 ALDH1A1 (0.44) ALDH1A1RECQLTSHR

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-111132736-A Hair dyeing method 花王株式会社 2020-05-08 CN disclosed
EP-2914346-A1 PROCESS FOR STRAIGHTENING AND DYEING HAIR Kao Corporation (JP) 2015-09-09 EP disclosed
WO-2014067702-A1 PROCESS FOR STRAIGHTENING AND DYEING HAIR KAO CORPORATION (JP) 2014-05-08 WO disclosed
EP-0863739-A2 HAIR DYE Wella Aktiengesellschaft (DE) 1998-09-16 EP disclosed
WO-1998011863-A2 HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed