SCHEMBL28793952

SCHEMBL28793952

CCCCc1c(C(F)(F)F)ccc(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TLR8 Q9NR97 3/20 0.32
ADRB2 P07550 2/20 0.32
HSD11B1 P28845 1/20 0.32
AR P10275 2/20 0.32
TLR7 Q9NYK1 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NOS2 P35228 1/20 0.31
S1PR1 P21453 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL28855680 0.79 SMN1; SMN2 (0.39) SKP2KDM4ETLR8HSD11B1TLR7
SCHEMBL7931296 0.78 AR (0.38) SKP2KDM4EPOLBARSMN1; SMN2
SCHEMBL22864098 0.76 HSD11B1 (0.41) TLR8HSD11B1SMN1; SMN2NPC1HPGD
SCHEMBL3806265 0.74 SKP2 (0.47) SKP2KDM4EPOLBTLR8NOS2
SCHEMBL116888 0.74 ACHE (0.36) ADRB2
SCHEMBL11440401 0.73 S1PR1 (0.33) TLR8ARS1PR1
Hydrochloric Acid SCHEMBL6536044 0.73 SKP2 (0.46) SKP2KDM4EPOLBTLR8NOS2
SCHEMBL1498868 0.72 SKP2 (0.57) SKP2TLR8TLR7SMN1; SMN2NOS2
SCHEMBL23069394 0.72 SKP2 (0.44) SKP2KDM4ETLR8SMN1; SMN2HPGD
SCHEMBL1170745 0.71 SKP2 (0.41) SKP2TLR8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414195-B Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL CO 2014-11-12 CN disclosed
CN-102414195-A Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL CO 2012-04-11 CN disclosed