SCHEMBL5037256

SCHEMBL5037256

CC(C)(C)NC(=O)c1sc2nc(-c3ccccc3)nc(-c3cccc(NC(=O)N4CCSCC4)c3)c2c1N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.51
TSHR P16473 1/20 0.49
FSHR P23945 2/20 0.48
BRAF P15056 7/20 0.46
POLB P06746 1/20 0.40
FAAH O00519 2/20 0.40
CHRM4 P08173 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL5036580 0.92 LHCGR (0.50) LHCGRTSHRFSHRBRAFPOLB
SCHEMBL4425936 0.89 BRAF (0.58) BRAFPOLBFAAHKDM4E
SCHEMBL4426367 0.84 LHCGR (0.55) LHCGRTSHRFSHRBRAFPOLB
SCHEMBL5028901 0.83 LHCGR (0.54) LHCGRTSHRFSHRBRAFCHRM4
SCHEMBL5028895 0.83 LHCGR (0.54) LHCGRTSHRFSHRBRAFCHRM4
SCHEMBL5026098 0.81 LHCGR (0.62) LHCGRTSHRFSHRBRAFCHRM4
SCHEMBL6220667 0.81 LHCGR (0.53) LHCGRTSHRFSHRBRAF
SCHEMBL4429274 0.80 LHCGR (0.66) LHCGRTSHRFSHRBRAF
SCHEMBL4425219 0.80 BRAF (0.55) BRAFPOLBKDM4E
SCHEMBL5026187 0.78 LHCGR (0.52) LHCGRTSHRFSHRBRAFCHRM4

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-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed