SCHEMBL5036580

SCHEMBL5036580

CC(C)(C)NC(=O)c1sc2nc(-c3ccccc3)nc(-c3cccc(NC(=O)N4CCOCC4)c3)c2c1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 4/20 0.50
TSHR P16473 1/20 0.49
FSHR P23945 1/20 0.47
BRAF P15056 5/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BTK Q06187 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL5037256 0.92 LHCGR (0.51) LHCGRTSHRFSHRBRAFPOLB
SCHEMBL4425219 0.89 BRAF (0.55) BRAFNPC1RAB9ABTKCYP2C9
SCHEMBL4429274 0.89 LHCGR (0.66) LHCGRTSHRFSHRBRAFRXFP1
SCHEMBL4426367 0.83 LHCGR (0.55) LHCGRTSHRFSHRBRAFPOLB
SCHEMBL5028895 0.82 LHCGR (0.54) LHCGRTSHRFSHRBRAFRAB9A
SCHEMBL5028901 0.82 LHCGR (0.54) LHCGRTSHRFSHRBRAFNPC1
SCHEMBL5026098 0.81 LHCGR (0.62) LHCGRTSHRFSHRBRAFNPC1
SCHEMBL6220667 0.80 LHCGR (0.53) LHCGRTSHRFSHRBRAFNPC1
SCHEMBL4425936 0.80 BRAF (0.58) BRAFPOLB
SCHEMBL4428981 0.78 BRAF (0.53) LHCGRTSHRFSHRBRAFNPC1

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