SCHEMBL13484207

SCHEMBL13484207

Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.72
HTT P42858 2/20 0.72
TP53 P04637 1/20 0.71
MAPT P10636 1/20 0.71
KMT2A Q03164 1/20 0.71
METAP2 P50579 3/20 0.66
BDKRB1 P46663 4/20 0.60
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CCR9 P51686 1/20 0.57

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
SCHEMBL12220857 0.94 LMNA (0.81) LMNAHTTTP53MAPTKMT2A
SCHEMBL2534878 0.89 LMNA (0.86) LMNAHTTTP53MAPTKMT2A
SCHEMBL2003387 0.87 METAP2 (0.77) LMNAHTTTP53MAPTKMT2A
SCHEMBL16479406 0.87 LMNA (0.68) LMNAHTTTP53MAPTKMT2A
SCHEMBL16479405 0.87 LMNA (0.71) LMNAHTTTP53MAPTKMT2A
SCHEMBL13077403 0.86 BDKRB1 (0.64) LMNAHTTTP53MAPTKMT2A
SCHEMBL28289991 0.86 BDKRB1 (0.74) LMNAHTTTP53MAPTKMT2A
SCHEMBL28518 0.85 LMNA (0.80) LMNAHTTTP53MAPTKMT2A
SCHEMBL14215454 0.85 LMNA (0.65) LMNAHTTTP53MAPTKMT2A
SCHEMBL13077434 0.85 LMNA (0.65) LMNAHTTTP53MAPTKMT2A

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-7659272-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed