SCHEMBL13543309

SCHEMBL13543309

CC(C)(C)C(=O)c1ccc(F)c(S(=O)(=O)NCC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.43
▸ TP53 P04637 9/20 0.43
▸ LMNA P02545 9/20 0.43
▸ PTK2B Q14289 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ IDH2 P48735 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ACLY P53396 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13543493 0.86 PTK2B (0.58) MAPTTP53LMNAPTK2BSMN1; SMN2
SCHEMBL13543314 0.85 PIK3CD (0.48) MAPTSMN1; SMN2IDH2MEN1KMT2A
SCHEMBL21626414 0.79 MAPT (0.53) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL13542967 0.78 ALDH1A1 (0.36) LMNAIDH2TDP1
SCHEMBL13542963 0.77 IDH2 (0.47) MAPTIDH2MAPK1
SCHEMBL13542942 0.76 ATM (0.40) MAPTLMNASMN1; SMN2IDH2MEN1
SCHEMBL13543501 0.71 POLB (0.57) MAPTSMN1; SMN2MEN1MAPK1HTT
SCHEMBL13543170 0.70 CES2 (0.59) LMNAMEN1MAPK1HTTKMT2A
SCHEMBL18706687 0.70 SMN1; SMN2 (0.50) MAPTTP53LMNASMN1; SMN2
SCHEMBL13719926 0.69 CA2 (0.57) SMN1; SMN2MAPK1ACLY

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
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