SCHEMBL6183937

SCHEMBL6183937

CNC(=N)Nc1nc(C)c2cc(C)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 8/20 0.51
MEN1 O00255 6/20 0.51
MAPT P10636 8/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 8/20 0.49
NPY2R P49146 1/20 0.49
STAT3 P40763 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RAD52 P43351 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 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
SCHEMBL6183774 0.88 KMT2A (0.51) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL14148998 0.85 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL3470444 0.84 KDM4E (0.58) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL19868916 0.82 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL13549768 0.77 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL4099273 0.75 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL4099271 0.75 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL17793846 0.75 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL7029625 0.74 HSP90AB1 (0.56) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL4409938 0.74 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1MAPT

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
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed