SCHEMBL6896769

SCHEMBL6896769

COc1nc(C)c(CO)cc1NC(=NO)N1CCN(c2cc(C)cc(C)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 7/20 0.38
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6674781 0.92 PHGDH (0.38) PHGDHCYP3A4CYP2C19MEN1PKM
SCHEMBL6676875 0.91 PHGDH (0.42) PHGDHCYP3A4CYP2C19MEN1PKM
SCHEMBL6675122 0.91 CYP3A4 (0.43) PHGDHCYP3A4CYP2C19LMNAHSD17B10
SCHEMBL6675236 0.90 CYP3A4 (0.32) PHGDHCYP3A4CYP2C19LMNAHSD17B10
SCHEMBL6687937 0.89 PHGDH (0.36) PHGDHCYP3A4CYP2C19MEN1PKM
SCHEMBL6675980 0.88 PHGDH (0.41) PHGDHCYP3A4CYP2C19MEN1PKM
SCHEMBL6674652 0.85 KMT2A (0.46) MEN1KMT2A
SCHEMBL6677879 0.84 PHGDH (0.38) PHGDHCYP3A4CYP2C19MEN1PKM
SCHEMBL6675867 0.83 PHGDH (0.39) PHGDHCYP3A4CYP2C19MEN1KMT2A
SCHEMBL6678312 0.83 PHGDH (0.42) PHGDHCYP3A4CYP2C19KMT2ALMNA

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