SCHEMBL4557695

SCHEMBL4557695

COc1ccc(-c2cc(C(N)=O)n[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.60
MAPT P10636 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2A1 P68400 1/20 0.51
GLA P06280 1/20 0.51
CDC7 O00311 1/20 0.50
NPY5R Q15761 1/20 0.48
ALPL P05186 2/20 0.48
MAP4K4 O95819 1/20 0.48
CA9 Q16790 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GRM2 Q14416 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL1413939 0.86 MAPT (0.59) DYRK1AMAPTNPC1RAB9AMAPK1
SCHEMBL8368151 0.85 MAPT (0.58) DYRK1AMAPTNPC1RAB9AMAPK1
SCHEMBL30683712 0.83 SMN1; SMN2 (0.57) NPC1RAB9AMAPK1LMNAALDH1A1
SCHEMBL8860019 0.80 MKNK1 (0.57) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL28059172 0.79 RAB9A (0.62) DYRK1AMAPTNPC1RAB9AMAPK1
SCHEMBL12906820 0.79 RAB9A (0.52) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL27386699 0.78 IKBKB (0.47) DYRK1ALMNACSNK2A1MAP4K4TNIK
SCHEMBL28059182 0.76 DYRK1A (0.54) DYRK1AMAPTNPC1RAB9AMAPK1
SCHEMBL1143140 0.76 DYRK1A (1.00) DYRK1AMAPTNPC1RAB9AMAPK1
SCHEMBL5838154 0.76 RAB9A (0.67) DYRK1AMAPTNPC1RAB9AMAPK1

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
WO-2009091832-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-07-23 WO disclosed