SCHEMBL6005342

SCHEMBL6005342

c1ccc(-c2nc3ncccc3cc2Oc2ccnc3ccsc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.42
KDR P35968 2/20 0.42
NPC1 O15118 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPT P10636 1/20 0.32
DHODH Q02127 1/20 0.31
TOP1 P11387 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
SCHEMBL6005337 0.84 ALDH1A1 (0.38) METKDRADORA2AADORA1MAPT
SCHEMBL6005041 0.83 IKBKB (0.39) METKDRNPC1MAPT
SCHEMBL6004327 0.81 TOP1 (0.42) NPC1PDGFRBPDGFRAMAPTDHODH
SCHEMBL6004276 0.81 LMNA (0.39) KDRNPC1ADORA2APDGFRBPDGFRA
SCHEMBL6004803 0.77 FGFR2 (0.36) KDRNPC1ADORA2AADORA1PDGFRB
SCHEMBL6002787 0.77 CCNC (0.39) NPC1DHODH
SCHEMBL6004795 0.77 FGFR2 (0.36) METKDRNPC1DHODHTOP1
SCHEMBL6005302 0.76 DHODH (0.39) DHODHTOP1
SCHEMBL3895779 0.76 FGFR2 (0.53) KDRPDGFRBPDGFRA
SCHEMBL6005306 0.76 MAPK14 (0.34) METNPC1PDGFRBPDGFRADHODH

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed