SCHEMBL6682837

SCHEMBL6682837

CCOC(=O)Nc1ncnc(NC(=O)OC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HPGD P15428 1/20 0.42
KDR P35968 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DPP4 P27487 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 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
SCHEMBL3364492 0.88 KMT2A (0.49) ALOX15KDM4EGLAPOLBALDH1A1
SCHEMBL3367290 0.88 KMT2A (0.49) ALOX15KDM4EGLAPOLBALDH1A1
SCHEMBL6256084 0.84 RAB9A (0.52) KDM4EGLAALDH1A1KMT2ACYP1A2
SCHEMBL3363746 0.82 KMT2A (0.53) KDM4EGLAPOLBALDH1A1KMT2A
SCHEMBL6657424 0.81 ALDH1A1 (0.46) KDM4EGLAPOLBALDH1A1KMT2A
SCHEMBL27838933 0.74 KDM4E (0.46) ALOX15KDM4EGLAPOLBALDH1A1
SCHEMBL6578768 0.74 RAB9A (0.51) KDM4EGLAALDH1A1KMT2ACYP1A2
SCHEMBL3366859 0.74 SMN1; SMN2 (0.46) KDM4EGLAPOLBALDH1A1KMT2A
SCHEMBL3365339 0.74 SMN1; SMN2 (0.46) KDM4EGLAPOLBALDH1A1KMT2A
SCHEMBL8538892 0.73 CYP1A2 (0.62) KDM4EGLAPOLBALDH1A1KMT2A

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-1440065-A1 METHOD FOR PREPARING ALKOXYCARBONYLAMINO-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2004-07-28 EP disclosed
WO-2003035628-A1 METHOD FOR PREPARING ALKOXYCARBONYLAMINO-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2003-05-01 WO disclosed