SCHEMBL6565548

SCHEMBL6565548

Cc1cc(NCCO)n(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
KCNJ6 P48051 2/20 0.51
KCNJ5 P48544 2/20 0.51
KCNJ3 P48549 2/20 0.51
SMYD3 Q9H7B4 1/20 0.46
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.43
P2RY14 Q15391 1/20 0.43
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL9051075 0.77 NTRK1 (0.60) GAAKCNJ6KCNJ5KCNJ3SMN1; SMN2
SCHEMBL1030401 0.75 BRD4 (0.45) GAAKCNJ6KCNJ5KCNJ3SMYD3
SCHEMBL8428544 0.74 PTGS2 (0.46) GAAKCNJ6KCNJ5KCNJ3SMYD3
SCHEMBL12402397 0.73 PTGS2 (0.48) GAAKCNJ6KCNJ5KCNJ3SMYD3
SCHEMBL3322508 0.73 LMNA (0.61) GAAPOLBSMN1; SMN2MAPTCYP2C19
SCHEMBL1800851 0.72 KDM4E (0.58) GAAPOLBPKMSMN1; SMN2KMT2A
SCHEMBL8430722 0.72 PTGS2 (0.47) GAAKCNJ6KCNJ5KCNJ3SMYD3
SCHEMBL1374365 0.70 POLB (0.73) GAAPOLBSMN1; SMN2KMT2AMAPT
SCHEMBL17673290 0.70 PTGS2 (0.48) GAAKCNJ6KCNJ5KCNJ3SMYD3
SCHEMBL5178107 0.70 GRN (0.67) KCNJ6KCNJ5KCNJ3SMYD3POLB

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
EP-1404288-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2004-04-07 EP disclosed
WO-2002051372-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2002-07-04 WO disclosed
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP disclosed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO disclosed
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO disclosed