SCHEMBL7071887

SCHEMBL7071887

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC2(CO)CO)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TK1 P04183 1/20 0.30

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
SCHEMBL7071466 0.86 MEN1 (0.33) MEN1KMT2ATDP1TK1
SCHEMBL674037 0.83 GRIN1 (0.42) MEN1KMT2ATDP1
SCHEMBL675171 0.82 KMT2A (0.35) MEN1KMT2ATDP1
SCHEMBL6087585 0.82 KMT2A (0.35) MEN1KMT2ATDP1
SCHEMBL6088384 0.81 GRIN1 (0.38) MEN1KMT2ATDP1
SCHEMBL7068410 0.81 GRIN1 (0.38) MEN1KMT2ATDP1
SCHEMBL6086562 0.81 MTOR (0.38) MEN1KMT2ATDP1
SCHEMBL7073641 0.80
SCHEMBL7070503 0.80 TK1 (0.30) TK1
SCHEMBL12752190 0.80 KMT2A (0.39) MEN1KMT2ATDP1

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
EP-0827498-B1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARM CO LTD (KR) 2003-06-18 EP disclosed