SCHEMBL17801031

SCHEMBL17801031

O=C(NNC(=O)C1CCCN1C(=O)O)c1ccc2c(c1)c(Br)nn2C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
CYP2C19 P33261 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
MMP8 P22894 2/20 0.30
MMP13 P45452 2/20 0.30
KMT2A Q03164 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL17801039 0.80 HCAR3 (0.43) CNR2CNR1RXRARXRBRXRG
SCHEMBL17801061 0.78 KMT2A (0.38) CNR2CNR1RXRARXRBRXRG
SCHEMBL4079306 0.76 NPC1 (0.41) CNR2CNR1RXRARXRBRXRG
SCHEMBL18548025 0.76 DGAT2 (0.40) CNR2CNR1RXRARXRBRXRG
SCHEMBL30182911 0.73 MAPT (0.38) CNR2RXRARXRBRXRGDGAT2
SCHEMBL17801013 0.73 HDAC1 (0.42) DGAT2
SCHEMBL17801066 0.72 HCRTR1 (0.40) RXRARXRBRXRG
SCHEMBL5378173 0.71 RAB9A (0.41) CNR2CNR1ALDH1A1RAB9ACYP2C19
SCHEMBL30950223 0.69 CYP4F2 (0.39) RXRARXRBRXRGDGAT2ALDH1A1
SCHEMBL22160453 0.69 CYP4F2 (0.39) RXRARXRBRXRGALDH1A1

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