SCHEMBL24313611

SCHEMBL24313611

O=Cc1c(O)cc(C2CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
QDPR P09417 3/20 0.33
ERN1 O75460 3/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL24439732 0.87 ESR2 (0.31) ESR2
SCHEMBL12174452 0.81 HDAC4 (0.42) ESR2QDPRERN1HDAC4HDAC2
SCHEMBL14302791 0.79
SCHEMBL24313735 0.78 HTR2A (0.35) ESR2QDPRCNR1
SCHEMBL29588792 0.78 HTR2A (0.35) ESR2QDPRCNR1
SCHEMBL20456768 0.75 DAO (0.35)
SCHEMBL24313909 0.75 NPY5R (0.30)
SCHEMBL22103530 0.75 ERN1 (0.39) QDPRERN1MAPT
SCHEMBL24314202 0.75 ESR2 (0.34) ESR2QDPRERN1CYP3A4MAPT
SCHEMBL29587536 0.75 ESR2 (0.34) ESR2QDPRERN1CYP3A4MAPT

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-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed