SCHEMBL8555533

SCHEMBL8555533

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC(Br)C=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL8555076 0.87 NPC1 (0.31) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8661865 0.82 NPC1 (0.34) KMT2AMEN1NPC1NFKB1RAB9A
SCHEMBL8553057 0.81 KMT2A (0.34) KMT2AMEN1NPC1NFKB1RAB9A
SCHEMBL8553780 0.80 NPC1 (0.36) KMT2AMEN1NPC1NFKB1RAB9A
SCHEMBL8553434 0.80 MEN1 (0.36) KMT2AMEN1NPC1NFKB1RAB9A
SCHEMBL8555548 0.77 LMNA (0.40) KMT2ANPC1NFKB1RAB9ANFKB2
SCHEMBL8603712 0.77 NR1I2 (0.37) KMT2AMEN1NPC1NFKB1RAB9A
SCHEMBL8604570 0.76 HDAC6 (0.38) KMT2AMEN1NPC1NFKB1RAB9A
SCHEMBL8551826 0.76 FFAR4 (0.44) KMT2AMEN1USP2ALOX15MAPK1
SCHEMBL8553882 0.75 HDAC6 (0.37) KMT2AMEN1NPC1NFKB1RAB9A

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