SCHEMBL18601034

SCHEMBL18601034

O=S(=O)(c1ccccc1C(F)(F)F)N1CCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 5/20 0.60
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
MAPK1 P28482 1/20 0.54
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
ATM Q13315 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL10167171 0.92 KMT2A (0.59) KMT2AMEN1MAPK1TSHRL3MBTL1
SCHEMBL3082913 0.80 CPT1A (0.49) KMT2AMEN1
SCHEMBL16948435 0.78 KMT2A (0.66) KMT2AMEN1TSHRATM
SCHEMBL3096478 0.77 POLB (0.47) KMT2AMEN1CRHBPCRHR2TSHR
SCHEMBL2800954 0.77 KMT2A (0.61) KMT2AMEN1CRHBPCRHR2MAPK1
SCHEMBL24286525 0.75 KMT2A (0.67) KMT2AMEN1TSHRATM
SCHEMBL5829479 0.75 KMT2A (0.78) KMT2AMEN1TSHRATM
SCHEMBL4869072 0.75 CRHBP (0.62) KMT2AMEN1CRHBPCRHR2MAPK1
SCHEMBL3622390 0.75 KMT2A (0.63) KMT2AMEN1CRHBPCRHR2MAPK1
SCHEMBL6087186 0.74 L3MBTL1 (0.64) KMT2AMEN1TSHRL3MBTL1ATM

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
EP-3140291-A2 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2017-03-15 EP disclosed