SCHEMBL21032744

SCHEMBL21032744

O=c1oc2ccc(Br)cc2cc1S(=O)(=O)c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.67
▸ PKM P14618 3/20 0.67
▸ CA12 O43570 4/20 0.60
▸ CA9 Q16790 4/20 0.60
▸ CA1 P00915 3/20 0.60
▸ CA2 P00918 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ MAOA P21397 1/20 0.44

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
SCHEMBL830882 0.87 CA12 (0.77) LMNAPKMCA12CA9CA1
SCHEMBL20435610 0.85 CA12 (0.60) LMNAPKMCA12CA9CA1
SCHEMBL20435646 0.84 CA12 (0.60) LMNAPKMCA12CA9CA1
SCHEMBL21032746 0.81 RXFP1 (0.67) PKMCA12CA9CA1CA2
SCHEMBL21033120 0.80 LMNA (1.00) LMNAPKMCA12CA9CA1
SCHEMBL21033117 0.80 LMNA (0.81) LMNAPKMCA12CA9CA1
SCHEMBL21032737 0.80 LMNA (0.75) LMNAPKMCA12CA9CA1
SCHEMBL21032745 0.78 LMNA (0.72) LMNAPKMCA12CA9CA1
SCHEMBL830027 0.75 CA12 (0.77) LMNAPKMCA12CA9CA1
SCHEMBL1991495 0.75 AKR1B1 (0.53) KMT2A

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-2019104199-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY REGEN BIOPHARMA INC. (US) 2019-05-31 — — WO disclosed
WO-2019104201-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN NON-HUMANS Zander Therapeutics, Inc. (US) 2019-05-31 — — WO disclosed
Send feedback