SCHEMBL8553780

SCHEMBL8553780

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR1A P08908 1/20 0.32
TSHR P16473 1/20 0.32
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL8603712 0.85 NR1I2 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8555548 0.83 LMNA (0.40) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8661865 0.83 NPC1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9091116 0.82 TSHR (0.43) MAPK1TSHRHDAC6
SCHEMBL8551826 0.82 FFAR4 (0.44) KMT2AMEN1USP2ALOX15MAPK1
SCHEMBL9090532 0.82 KMT2A (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8604570 0.82 HDAC6 (0.38) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8553057 0.82 KMT2A (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9089363 0.81 NPSR1 (0.42) KMT2AMEN1MAPK1HDAC6
SCHEMBL8924114 0.81 HTR1A (0.34) NPC1NFKB1RAB9ANFKB2RELA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed