SCHEMBL16004338

SCHEMBL16004338

Cc1ccc(F)cc1S(=O)(=O)N1CCOc2ccc(COCc3ccccc3F)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.37
NTRK1 P04629 3/20 0.36
RIPK1 Q13546 1/20 0.36
PKM P14618 2/20 0.36
PKLR P30613 2/20 0.36
CNR1 P21554 2/20 0.36
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16004020 0.93 PKM (0.40) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL16004326 0.83 PKM (0.46) LMNAMEN1MAPK1KMT2AMAPT
SCHEMBL16004228 0.82 PKM (0.52) LMNASMN1; SMN2PKMPKLR
SCHEMBL16004012 0.82 NPC1 (0.41) LMNAMEN1MAPK1KMT2ANTRK1
SCHEMBL16004229 0.82 PKM (0.46) LMNAMAPK1KMT2AMAPTPKM
SCHEMBL16004257 0.81 PKM (0.50) LMNAMEN1MAPK1KMT2AMAPT
SCHEMBL16004163 0.81 PKM (0.49) LMNAMEN1MAPK1KMT2AMAPT
SCHEMBL16004164 0.80 RORC (0.44) LMNAMEN1KMT2AMAPTPKM
SCHEMBL16004256 0.80 L3MBTL1 (0.42) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL16004262 0.80 L3MBTL1 (0.45) LMNASMN1; SMN2MEN1MAPK1KMT2A

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
WO-2014133414-A2 HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ ЛЛС (US) 2014-09-04 WO disclosed