SCHEMBL6183774

SCHEMBL6183774

CNC(=N)Nc1nc(C)c2ccc(C)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 10/20 0.49
ALOX12 P18054 2/20 0.48
MAPT P10636 6/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 7/20 0.45
CREBBP Q92793 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPY2R P49146 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL6183937 0.88 KDM4E (0.53) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL3469723 0.84 KMT2A (0.58) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL19868916 0.82 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1ALOX12MAPT
SCHEMBL27341471 0.80 ALDH1A1 (0.48) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL4095316 0.75 KMT2A (0.66) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL4095314 0.75 KMT2A (0.66) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL4375388 0.74 TP53 (0.46) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL14148998 0.73 KDM4E (0.59) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3470444 0.72 KDM4E (0.58) KMT2AMEN1KDM4EALDH1A1ALOX12
SCHEMBL26173841 0.71 MPO (0.49) KMT2AMEN1KDM4EALDH1A1ALOX12

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