SCHEMBL6896764

SCHEMBL6896764

COc1nc(C)c(CO)cc1N=C(NO)N1CCN(c2cc(C)cc(C)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 6/20 0.36
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RY12 Q9H244 1/20 0.31
SUV39H2 Q9H5I1 2/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL6674780 0.92 PHGDH (0.36) PHGDHCYP3A4LMNAHSD17B10MEN1
SCHEMBL6676870 0.91 PHGDH (0.40) PHGDHCYP3A4HSD17B10MEN1KMT2A
SCHEMBL6675116 0.91 LMNA (0.37) PHGDHCYP3A4LMNAHSD17B10
SCHEMBL6675231 0.90 CCR1 (0.32) PHGDHHSD17B10CCR1
SCHEMBL6687934 0.89 PHGDH (0.34) PHGDHCYP3A4LMNAHSD17B10MEN1
SCHEMBL6675972 0.88 PHGDH (0.38) PHGDHCYP3A4LMNAHSD17B10MEN1
SCHEMBL6674643 0.86 MAPT (0.45) MEN1KMT2A
SCHEMBL6675864 0.83 PHGDH (0.37) PHGDHLMNAHSD17B10MEN1KMT2A
SCHEMBL6676074 0.83 GAA (0.40) PHGDHCYP3A4LMNAHSD17B10MEN1
SCHEMBL6675523 0.83 PHGDH (0.35) PHGDHCYP3A4LMNAHSD17B10MEN1

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
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed