SCHEMBL8553801

SCHEMBL8553801

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
EPHX2 P34913 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 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
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30

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 0.82 NR1I2 (0.37) NR1I2CYP3A4CYP2D6EPHX2KMT2A
SCHEMBL8551728 0.79 NR1I2 (0.34) NR1I2CYP3A4CYP2D6EPHX2NPC1
SCHEMBL8553780 0.78 NPC1 (0.36) NR1I2CYP3A4CYP2D6EPHX2KMT2A
SCHEMBL9090966 0.78 NR1I2 (0.34) NR1I2CYP3A4CYP2D6EPHX2NPC1
SCHEMBL9089930 0.77 NR1I2 (0.35) NR1I2CYP3A4CYP2D6EPHX2NPC1
SCHEMBL9089893 0.77 NR1I2 (0.59) NR1I2CYP3A4CYP2D6KMT2AMEN1
SCHEMBL8661865 0.77 NPC1 (0.34) NR1I2CYP3A4CYP2D6KMT2AMEN1
SCHEMBL8553984 0.77 NR1I2 (0.34) NR1I2CYP3A4CYP2D6EPHX2KMT2A
SCHEMBL8605399 0.77 NR1I2 (0.36) NR1I2CYP3A4CYP2D6EPHX2KMT2A
SCHEMBL8992121 0.76 BRD4 (0.37) NR1I2CYP3A4CYP2D6KMT2AMEN1

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 2 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