SCHEMBL15054889

SCHEMBL15054889

CCOC(=O)c1cc(N)cc2ncn(CC)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.43
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK1D P48730 1/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL15054540 0.84 LMNA (0.44) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1992837 0.73 ALDH1A1 (0.45) KDM4ERAB9ANPC1ALDH1A1HPGD
SCHEMBL28567653 0.70 LMNA (0.45) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL2328573 0.68 KDM4E (0.53) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL912444 0.68 CHEK2 (0.59) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL9126131 0.68 RAB9A (0.57) KDM4ERAB9ANPC1ALDH1A1MEN1
SCHEMBL26107446 0.68 KMT2A (0.41) KDM4EALDH1A1KMT2AHPGDTSHR
SCHEMBL31347284 0.68 KMT2A (0.41) KDM4EALDH1A1KMT2AHPGDTSHR
SCHEMBL4982524 0.68 TSHR (0.46) KDM4ERAB9ANPC1ALDH1A1HPGD
SCHEMBL8318161 0.67 ALDH1A1 (0.50) KDM4ERAB9ANPC1ALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 WO disclosed