SCHEMBL20181931

SCHEMBL20181931

CCCC(C)n1ccc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC29A1 Q99808 1/20 0.40
PARP1 P09874 1/20 0.40
BRD4 O60885 1/20 0.39
MTNR1A P48039 1/20 0.39
SLC2A1 P11166 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.37
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
SLC22A12 Q96S37 4/20 0.36
PKM P14618 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL4235557 0.88 ADA (0.39) SLC6A2PARP1MTNR1AL3MBTL1CYP2C19
SCHEMBL20181945 0.87 PARP1 (0.41) SLC6A2PARP1MTNR1AL3MBTL1CYP2C19
SCHEMBL23940231 0.83 SLC6A2 (0.42) SLC6A2PARP1MTNR1ASLC2A1L3MBTL1
SCHEMBL598048 0.80 PARP1 (0.46) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL8135638 0.77 PARP1 (0.47) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL8134942 0.77 PARP1 (0.44) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL25810956 0.74 SLC2A1 (0.46) SLC29A1BRD4SLC2A1TLR7
SCHEMBL20037238 0.73 SLC6A2 (0.57) SLC6A2BRD4SLC2A1HTR2A
SCHEMBL30991276 0.73 PARP1 (0.46) PARP1MTNR1AL3MBTL1CYP2C19CDC7
SCHEMBL23938013 0.73 PARP1 (0.46) PARP1MTNR1AL3MBTL1CYP2C19CDC7

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-11761007-B2 Production of unnatural nucleotides using a CRISPR/Cas9 system THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 US disclosed
US-20200377877-A1 PRODUCTION OF UNNATURAL NUCLEOTIDES USING A CRISPR/CAS9 SYSTEM THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-03 US disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed