SCHEMBL17801039

SCHEMBL17801039

O=C(O)c1ccc2c(c1)c(Br)nn2C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
TEAD1 P28347 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
ATR Q13535 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4079306 0.91 NPC1 (0.41) HCAR3RXRARXRBRXRGCNR1
SCHEMBL18548025 0.88 DGAT2 (0.40) RXRARXRBRXRGCNR1CNR2
SCHEMBL10324481 0.85 L3MBTL1 (0.44) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL30040921 0.85 L3MBTL1 (0.44) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL29444527 0.85 HCAR3 (0.43) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL9904464 0.85 HCAR3 (0.43) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL5378173 0.85 RAB9A (0.41) HSD17B10GAAL3MBTL1CNR1CNR2
SCHEMBL30182911 0.85 MAPT (0.38) RXRARXRBRXRGGAACNR2
SCHEMBL23535805 0.84 CNR1 (0.45) HCAR3RXRARXRBRXRGHSD17B10
Lithium SCHEMBL30864302 0.84 L3MBTL1 (0.43) HCAR3RXRARXRBRXRGHSD17B10

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