SCHEMBL11546337

SCHEMBL11546337

c1ccc(Nc2ncccc2Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.62
KDR P35968 2/20 0.50
DHODH Q02127 2/20 0.50
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 3/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
TEK Q02763 1/20 0.44
GRM4 Q14833 1/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 1/20 0.43
GRM5 P41594 1/20 0.43
IKBKB O14920 1/20 0.43
NPC1 O15118 1/20 0.42
FGFR2 P21802 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
SCHEMBL9072471 0.81 GCK (0.56) GCKKDRALDH1A1MAPTGAA
SCHEMBL11970994 0.81 KDR (0.57) GCKKDRDHODHMEN1KMT2A
SCHEMBL10157664 0.81 GCK (0.52) GCKKDRKMT2AALDH1A1MAPT
SCHEMBL13531372 0.77 GCK (0.53) GCKDHODHMEN1KMT2AALDH1A1
SCHEMBL1330737 0.77 GCK (1.00) GCKMEN1KMT2AALDH1A1MAPT
SCHEMBL23631384 0.77 PPIA (0.66) GCKGRM5
Hydrochloric Acid SCHEMBL1330945 0.76 GCK (0.97) GCKKMT2AALDH1A1MAPTGAA
SCHEMBL8657033 0.74 PPIA (0.50) GCKKDRMEN1KMT2AALDH1A1
SCHEMBL29286150 0.73 GCK (0.46) GCKKDRMEN1KMT2AALDH1A1
SCHEMBL30968561 0.73 GCK (0.46) GCKKDRMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179563-A COGNITION ACTIVATORS WARNER-LAMBERT COMPANY (US) 1979-12-18 US claimed
US-4179563-A COGNITION ACTIVATORS WARNER-LAMBERT COMPANY (US) 1979-12-18 US disclosed