SCHEMBL22454477

SCHEMBL22454477

COc1c(C)cncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.38
AGXT P21549 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
GAA P10253 1/20 0.33
CHUK O15111 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN11 Q06124 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ACHE P22303 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
SCHEMBL3447464 0.85 AGXT (0.41) AGXTALDH1A1CYP11B2CYP11B1KDM4E
SCHEMBL19063459 0.85 PDE4D (0.42) PDE4DALDH1A1KMT2AGAACHUK
Hydrochloric Acid SCHEMBL17591666 0.82 AGXT (0.39) AGXTALDH1A1CYP11B2CYP11B1KDM4E
SCHEMBL29682842 0.82 AGXT (0.39) AGXTALDH1A1CYP11B2CYP11B1KDM4E
SCHEMBL15859005 0.76 ACHE (0.41) AGXTALDH1A1CYP11B2CYP11B1KDM4E
SCHEMBL24899923 0.74 AGXT (0.35) AGXTCYP11B2CYP11B1CYP1A1CYP1B1
SCHEMBL14225088 0.74 PDE4D (0.37) PDE4DALDH1A1KMT2AGAACHUK
SCHEMBL13724673 0.74 CA2 (0.37) AGXTCYP11B2CYP11B1CYP1A1CYP1B1
SCHEMBL19616148 0.74 AGXT (0.39) AGXTALDH1A1CYP11B2CYP11B1GAA
SCHEMBL27387671 0.74 CYP11B2 (0.41) AGXTCYP11B2CYP11B1CYP1A1CYP1B1

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-2020191091-A1 ANTHELMINTIC AZA-BENZOTHIOPHENE AND AZA-BENZOFURAN COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-09-24 WO disclosed