SCHEMBL9863143

SCHEMBL9863143

Cc1cc(CCC2CCC(CBr)CC2)on1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 2/20 0.35
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
VHL P40337 2/20 0.34
EPHX2 P34913 1/20 0.34
PYCR1 P32322 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL1320569 0.85 S1PR1 (0.40) MEN1KMT2APDE10AVHLEPHX2
SCHEMBL28037973 0.74
SCHEMBL1078939 0.71 MEN1 (0.43) MEN1KMT2AVHLEPHX2PYCR1
SCHEMBL933778 0.69
SCHEMBL9667721 0.69 MEN1 (0.42) MEN1KMT2AVHLEPHX2PYCR1
SCHEMBL8539204 0.68 NR1I2 (0.41) MEN1KMT2AVHLEPHX2PYCR1
SCHEMBL9436389 0.68 NR1I2 (0.41) MEN1KMT2AVHLEPHX2PYCR1
SCHEMBL9667987 0.68 NR1I2 (0.41) MEN1KMT2AVHLEPHX2PYCR1
SCHEMBL1320408 0.68 VHL (0.41) MEN1KMT2APDE10AVHLEPHX2
SCHEMBL9666007 0.68 NR1I2 (0.41) MEN1KMT2AVHLEPHX2PYCR1

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-5002916-A Polymerization catalyst for addition polymerization EXXON CHEMICAL PATENTS INC. (US) 1991-03-26 US disclosed
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