SCHEMBL8715461

SCHEMBL8715461

COc1cccc(-c2nc(Cl)ns2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.59
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.49
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DCTPP1 Q9H773 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 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
SCHEMBL6581534 0.81 CYP19A1 (0.59) CYP19A1TDP1MAPTRAB9ANFKB1
SCHEMBL20588052 0.81 CYP19A1 (0.59) CYP19A1TDP1MAPTRAB9ANFKB1
SCHEMBL29673242 0.81 CYP19A1 (0.59) CYP19A1TDP1MAPTRAB9ANFKB1
SCHEMBL28406603 0.80 CYP19A1 (0.73) CYP19A1TDP1MAPTRAB9ANFKB1
SCHEMBL30287350 0.80 CYP19A1 (0.73) CYP19A1TDP1MAPTRAB9ANFKB1
SCHEMBL6579923 0.76 CYP19A1 (0.51) CYP19A1TDP1MAPTRAB9ANFKB1
SCHEMBL14488273 0.75 CYP19A1 (0.56) CYP19A1TDP1MAPTRAB9ANFKB1
SCHEMBL8838312 0.74 CYP19A1 (0.49) CYP19A1TDP1MAPTRAB9ANFKB1
SCHEMBL855317 0.74 ADORA3 (0.59) CYP19A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8838311 0.74 CYP19A1 (0.48) CYP19A1TDP1MAPTRAB9ANFKB1

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
WO-1998023155-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO disclosed
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO disclosed