SCHEMBL20548413

SCHEMBL20548413

CCc1c[nH]c2ccc(B3OC(C)(C)C(C)(C)O3)cc12.O=C1Nc2ccc(Br)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.46
CES1 P23141 1/20 0.46
GPR84 Q9NQS5 1/20 0.38
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HTR2A P28223 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SLC6A4 P31645 2/20 0.34
CSNK2A1 P68400 1/20 0.34
AGTR1 P30556 1/20 0.34
HTR1A P08908 1/20 0.34
AKT1 P31749 1/20 0.33
PDGFRB P09619 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
IDO1 P14902 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL1337645 0.82 LPL (0.42) GPR84PRMT5WDR77HTR2AHTR1A
SCHEMBL1337282 0.73 LPL (0.50) HTR2AHTR1A
SCHEMBL15912503 0.73 LPL (0.42) GPR84PRMT5WDR77HTR2A
SCHEMBL15897087 0.70 ALDH1A1 (0.56) PRMT5WDR77MTNR1AMTNR1BHTR1A
SCHEMBL758451 0.70 CYP2D6 (0.49) HTR2AMTNR1AMTNR1BSLC6A4HTR1A
SCHEMBL1335521 0.69 GPR84 (0.73) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL25776268 0.69 LPL (0.37) GPR84PRMT5WDR77HTR1A
Alcohol SCHEMBL27855752 0.68 TGM2 (0.80) TGM2CES1AGTR1CCNB2CDK1
SCHEMBL12016746 0.68 HTR1A (0.56) HTR2AMTNR1AMTNR1BSLC6A4HTR1A
SCHEMBL136581 0.68 TGM2 (1.00) TGM2CES1AGTR1

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
EP-2566847-B1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS ICOZEN THERAPEUTICS PVT LTD (IN) 2018-11-07 EP disclosed