SCHEMBL28828302

SCHEMBL28828302

FC(F)(F)c1ccc(-c2ccccc2Cl)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
GPR3 P46089 1/20 0.46
AR P10275 1/20 0.45
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
PDE2A O00408 2/20 0.41
PDE10A Q9Y233 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
STK10 O94804 1/20 0.41
SLK Q9H2G2 1/20 0.41
CES2 O00748 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CETP P11597 1/20 0.40

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
SCHEMBL28676412 0.82 TSHR (0.56) GPR3ARGLAGAAPOLB
SCHEMBL1262778 0.81 HSD11B1 (0.59) HSD11B1ARGLAGAAKDM4E
SCHEMBL31449901 0.77 HSD11B1 (0.46) HSD11B1GPR3ARRORCRORB
SCHEMBL30239960 0.77 GPR3 (0.45) GPR3GLAGAAPOLBTSHR
SCHEMBL11424977 0.77 GPR3 (0.45) GPR3ARGLAGAAPOLB
SCHEMBL19785361 0.76 PDE2A (0.52) HSD11B1GPR3PDE2ATSHRALDH1A1
SCHEMBL15329536 0.76 TSHR (0.47) GLAGAAPDE2APOLBTSHR
SCHEMBL28020022 0.76 GPR3 (0.44) HSD11B1GPR3GLAGAAPOLB
SCHEMBL4781603 0.76 KIF11 (0.54) GPR3TSHRCES2ALDH1A1EDNRB
SCHEMBL26374951 0.75 GPR3 (0.42) HSD11B1GPR3GLAGAAPOLB

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
CN-105884693-A Parasiticidal Compositions Comprising Benzimidazole Derivatives, Methods And Uses Thereof 梅里亚有限公司 2016-08-24 CN disclosed