SCHEMBL17801026

SCHEMBL17801026

N#Cc1ccc(-c2nn(C3CCCCO3)c3ccc(-c4nnc(C5CCCN5C(=O)O)o4)cc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
HCRTR1 O43613 8/20 0.36
HCRTR2 O43614 7/20 0.36
SCD5 Q86SK9 4/20 0.35
CPT2 P23786 2/20 0.34
CPT1A P50416 2/20 0.34
CMKLR1 Q99788 1/20 0.34
TNKS O95271 2/20 0.34
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 2/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SCD O00767 1/20 0.33
HSD11B1 P28845 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
SCHEMBL17801089 0.90 ALDH1A1 (0.42) HCRTR1HCRTR2
SCHEMBL17801066 0.86 HCRTR1 (0.40) USP30HCRTR1HCRTR2RXRARXRB
SCHEMBL17801038 0.77 CMKLR1 (0.35) CMKLR1RXRARXRBRXRG
SCHEMBL17801065 0.76 ALDH1A1 (0.46) HCRTR1HCRTR2
SCHEMBL5373251 0.75 CMKLR1 (0.38) CMKLR1RXRARXRBRXRG
SCHEMBL5373390 0.73 CSNK1A1 (0.38) CMKLR1RXRARXRBRXRG
SCHEMBL5374037 0.73 KDM1A (0.37) CMKLR1RXRARXRBRXRG
SCHEMBL5378280 0.73 RXRA (0.36) CMKLR1RXRARXRBRXRG
SCHEMBL5375543 0.72 ATR (0.39) CMKLR1RXRARXRBRXRG
SCHEMBL4084335 0.72 RXRA (0.42) CMKLR1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed