SCHEMBL27697205

SCHEMBL27697205

O=C(Nc1ccc(-n2c(C(F)(F)F)nc3cc(O)ccc32)cc1)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
MCL1 Q07820 1/20 0.47
LMNA P02545 2/20 0.45
TLR8 Q9NR97 1/20 0.45
AURKA O14965 1/20 0.45
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPC1 P48995 1/20 0.41
TRPC3 Q13507 1/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 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
SCHEMBL2094427 0.92 CRACR2A (0.42) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL27717256 0.89 MEN1 (0.47) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL27697208 0.89 MEN1 (0.49) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL27717099 0.89 MEN1 (0.53) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL27717233 0.86 MAPT (0.52) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL27697209 0.86 ALDH1A1 (0.45) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL27717098 0.86 TLR8 (0.48) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL27717122 0.83 KDR (0.52) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL2092391 0.82 P2RX1 (0.43) MEN1KMT2ATDP1SMN1; SMN2TLR8
SCHEMBL10187707 0.82 MEN1 (0.44) MEN1KMT2ATDP1NPC1RAB9A

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