SCHEMBL27697218

SCHEMBL27697218

O=C(Nc1ccc(-n2c(C(F)(F)F)nc3ccccc32)nc1)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 2/20 0.52
P4HTM Q9NXG6 1/20 0.50
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
DGAT1 O75907 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
OPRK1 P41145 1/20 0.42
TP53 P04637 1/20 0.42
TLR8 Q9NR97 1/20 0.41

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
SCHEMBL3764187 0.93 CRACR2A (0.53) CRACR2AP4HTMLMNANPC1RAB9A
SCHEMBL2091533 0.91 CRACR2A (0.46) CRACR2AP4HTMLMNADGAT1
SCHEMBL27717099 0.85 MEN1 (0.53) P4HTMLMNAMEN1KMT2ATDP1
SCHEMBL27697216 0.81 RAB9A (0.47) LMNAMEN1KMT2ATDP1NPC1
SCHEMBL27697212 0.80 MAPT (0.53) CRACR2ALMNAMEN1KMT2ATDP1
SCHEMBL27717245 0.80 RAB9A (0.54) LMNAMEN1KMT2ATDP1NPC1
SCHEMBL2095544 0.80 CRACR2A (0.54) CRACR2ALMNAMEN1KMT2ATDP1
SCHEMBL10187707 0.78 MEN1 (0.44) CRACR2ALMNAMEN1KMT2ATDP1
SCHEMBL2093501 0.78 GSK3B (0.37) CRACR2ALMNARAB9ASMN1; SMN2MAPT
SCHEMBL2093588 0.78 LMNA (0.43) LMNAMEN1KMT2ATDP1NPC1

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
CN-101083985-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2007-12-05 CN claimed