SCHEMBL9997269

SCHEMBL9997269

O=S(=O)(Cl)c1ccc(I)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.35
RAD51 Q06609 1/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CCR2 P41597 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 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
SCHEMBL3775195 0.78 TRPV4 (0.37) TRPV4RAD51CCR2CA1CA2
SCHEMBL1814581 0.78 HSP90AA1 (0.43) TRPV4TSHRHTTLMNACA1
SCHEMBL31470482 0.78 HSP90AA1 (0.43) TRPV4TSHRHTTLMNACA1
SCHEMBL4142707 0.77 TSHR (0.54) TRPV4TSHRHTTLMNAHPGD
SCHEMBL31450141 0.77 TSHR (0.54) TRPV4TSHRHTTLMNAHPGD
SCHEMBL31645086 0.75 TRPV4 (0.39) TRPV4TSHRHTTLMNAHPGD
SCHEMBL31645221 0.75 KMT2A (0.49) TRPV4TSHRHTTCCR2CA1
SCHEMBL2927021 0.75 TRPV4 (0.39) TRPV4TSHRHTTLMNAHPGD
SCHEMBL434170 0.75 KMT2A (0.49) TRPV4TSHRHTTCCR2CA1
SCHEMBL13799680 0.75 TRPV4 (0.39) TRPV4RAD51CCR2CA2

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-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed