SCHEMBL13845817

SCHEMBL13845817

Cc1cc(Nc2cc(CF)cc(OCCI)c2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 2/20 0.44
GUSB P08236 1/20 0.44
MAPT P10636 1/20 0.44
NCF1 P14598 1/20 0.44
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5128481 0.82 TSHR (0.45) HTTTSHRLMNAKDM4ENPC1
SCHEMBL5128474 0.81 TSHR (0.44) HTTTSHRLMNAKDM4ENPC1
SCHEMBL14306234 0.81 TSHR (0.57) HTTTSHRLMNAKDM4ENCF1
SCHEMBL13845816 0.79 L3MBTL1 (0.54) HTTTSHRLMNAKDM4ENPC1
SCHEMBL14320172 0.78 UTS2R (0.44) HTTTSHRLMNAKDM4ETP53
SCHEMBL14313669 0.76 LMNA (0.47) HTTTSHRLMNATP53POLB
SCHEMBL4832560 0.75 TSHR (0.55) HTTTSHRLMNAKDM4ENPC1
SCHEMBL3977889 0.75 TSHR (0.52) HTTTSHRLMNAKDM4ENPC1
SCHEMBL3976760 0.75 TSHR (0.52) HTTTSHRLMNAKDM4ENPC1
SCHEMBL3992613 0.75 TSHR (0.52) HTTTSHRLMNAKDM4ENPC1

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-2009063364-A2 MODULATORS OF UROTENSIN RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS INC. (US) 2009-05-22 WO disclosed