SCHEMBL9862967

SCHEMBL9862967

Cc1cc(CCC=CCOc2ccc(C3=NCCO3)cc2Cl)on1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GRM2 Q14416 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SCARB1 Q8WTV0 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9862966 1.00 NPC1 (0.35) NPC1RAB9AGRM2KMT2AMEN1
SCHEMBL9705896 0.87 NR1I2 (0.30) KMT2AMEN1
SCHEMBL9705902 0.87 NR1I2 (0.30) KMT2AMEN1
SCHEMBL9876059 0.85 KCNH2 (0.40) KMT2AMEN1SCARB1MAPTKDM4E
SCHEMBL10420328 0.85 KCNH2 (0.40) KMT2AMEN1SCARB1MAPTKDM4E
SCHEMBL9668279 0.84 TDP1 (0.39) NPC1RAB9AGRM2KMT2AMEN1
SCHEMBL9667163 0.83 TDP1 (0.38) NPC1RAB9AGRM2KMT2AMEN1
SCHEMBL9666735 0.83 TDP1 (0.38) NPC1RAB9AGRM2KMT2AMEN1
SCHEMBL9668088 0.83 TDP1 (0.38) NPC1RAB9AGRM2KMT2AMEN1
SCHEMBL9667744 0.83 TDP1 (0.38) NPC1RAB9AGRM2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed