SCHEMBL10151397

SCHEMBL10151397

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(N=O)c(OC)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
HPGDS O60760 3/20 0.37
KIF11 P52732 1/20 0.36
RXRA P19793 4/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
SCD O00767 1/20 0.35
PPARG P37231 1/20 0.35
NR1H3 Q13133 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FOXO1 Q12778 1/20 0.35
DEGS1 O15121 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
SCHEMBL646969 0.91 MEN1 (0.44) RXFP1HPGDSHSP90AA1HSP90AB1HSD17B10
SCHEMBL10151709 0.91 RXRA (0.38) HPGDSRXRAHSP90AA1HSP90AB1HSD17B10
SCHEMBL646580 0.88 DEGS1 (0.45) RXFP1HPGDSMEN1POLBKMT2A
SCHEMBL648016 0.87 LIPE (0.43) HPGDSSCDKDM4EDEGS1MAPT
SCHEMBL648289 0.86 MAPT (0.43) RXFP1HPGDSRXRACYP1A2CYP2C19
SCHEMBL646832 0.86 NPC1 (0.47) HSD17B10CYP1A2CYP2C19MEN1POLB
SCHEMBL648772 0.86 F10 (0.42) HPGDSCYP1A2CYP2C19MEN1POLB
SCHEMBL646827 0.86 MAPT (0.41) RXFP1HPGDSRXRAMEN1POLB
SCHEMBL645596 0.86 MEN1 (0.44) RXFP1HPGDSMEN1POLBKMT2A
SCHEMBL8234419 0.86 DEGS1 (0.47) HPGDSRXRAMEN1POLBKMT2A

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
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed