SCHEMBL29588792

SCHEMBL29588792

O=Cc1c(O)cc(C2CC2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
POLQ O75417 1/20 0.34
ESR2 Q92731 1/20 0.34
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CNR1 P21554 1/20 0.30
QDPR P09417 1/20 0.30
WDR5 P61964 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
SCHEMBL24313735 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BPOLQESR2
SCHEMBL24313611 0.78 ESR2 (0.36) ESR2CNR1QDPR
SCHEMBL24313743 0.77 HTR2A (0.42) HTR2AHTR2CHTR2BPOLQALDH1A1
SCHEMBL12174452 0.77 HDAC4 (0.42) ESR2QDPR
SCHEMBL679035 0.74 CES2 (0.39) KDM4EALDH1A1POLB
SCHEMBL684806 0.73 ERN1 (0.39) ALDH1A1POLB
SCHEMBL24314202 0.71 ESR2 (0.34) ESR2CNR1QDPR
SCHEMBL29587536 0.71 ESR2 (0.34) ESR2CNR1QDPR
SCHEMBL24313734 0.71 ERN1 (0.36) ESR2KDM4E
SCHEMBL29587472 0.71 ERN1 (0.36) ESR2KDM4E

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
EP-4229045-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute Inc. (US) 2023-08-23 EP disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed