SCHEMBL5628909

SCHEMBL5628909

O=C(c1ccccc1)c1c(Cl)cccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 6/20 0.49
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PTK2B Q14289 1/20 0.48
KAT6A Q92794 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
CCR2 P41597 1/20 0.43

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
SCHEMBL29087421 0.83 KMT2A (0.64) CCR9TSHRMEN1KMT2AFFAR4
SCHEMBL5069496 0.81 CCR9 (0.58) CCR9TSHRKDM4EPTK2BCCR2
SCHEMBL28301 0.81 CCR9 (0.74) CCR9KMT2ACCR2
SCHEMBL12407078 0.79 FFAR4 (0.55) CCR9TSHRKDM4EMEN1KMT2A
SCHEMBL15821484 0.77 ALDH1A1 (0.59) CCR9TSHRKDM4EMEN1KMT2A
SCHEMBL20686121 0.76 ELANE (0.55) CCR9KDM4EKMT2AFFAR4HDAC3
SCHEMBL29561208 0.75 MAPT (0.57) CCR9FFAR4HDAC3HDAC4HDAC1
SCHEMBL3980968 0.74 MEN1 (0.67) TSHRMEN1KMT2A
SCHEMBL3048026 0.74 CCR1 (0.51) CCR2
SCHEMBL14458120 0.74 ELANE (0.56) CCR9KDM4EFFAR4

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
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 US claimed