SCHEMBL6215212

SCHEMBL6215212

CSc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)O)sc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LHCGR P22888 7/20 0.51
TSHR P16473 2/20 0.50
IKBKB O14920 1/20 0.47
LIMK1 P53667 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRAF P15056 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6216455 0.89 LHCGR (0.59) MAPTMEN1KMT2ATDP1LHCGR
SCHEMBL4899220 0.88 BRAF (0.61) MAPTMEN1KMT2ATDP1LHCGR
SCHEMBL6214606 0.88 LHCGR (0.57) MAPTTDP1LHCGRTSHRIKBKB
SCHEMBL6217388 0.87 LHCGR (0.59) MAPTMEN1KMT2ALHCGRTSHR
SCHEMBL2133864 0.87 LHCGR (0.60) MAPTMEN1KMT2ATDP1LHCGR
SCHEMBL6216798 0.85 LHCGR (0.52) MAPTKMT2ALHCGRTSHRIKBKB
SCHEMBL4908873 0.84 LHCGR (0.55) MAPTMEN1KMT2ATDP1LHCGR
SCHEMBL5025967 0.82 LHCGR (0.62) MAPTMEN1KMT2ATDP1LHCGR
SCHEMBL6217652 0.81 LIMK1 (0.58) MAPTMEN1KMT2ALHCGRTSHR
SCHEMBL27490182 0.80 MAPT (0.65) MAPTMEN1KMT2ATDP1IKBKB

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-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 EP claimed