SCHEMBL23285271

SCHEMBL23285271

CCCCCCOc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccccc3O)n2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDK2 Q15119 2/20 0.44
NR5A1 Q13285 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR35 Q9HC97 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL791340 0.94 PTPN11 (0.49) PTPN11MAPTLMNAHTTALDH1A1
SCHEMBL29638853 0.94 PTPN11 (0.49) PTPN11MAPTLMNAHTTALDH1A1
SCHEMBL6521580 0.94 PTPN11 (0.49) PTPN11MAPTLMNAHTTALDH1A1
SCHEMBL26915684 0.91 PTPN11 (0.50) PTPN11MAPTLMNAPDK2NR5A1
SCHEMBL3813335 0.91 NPC1 (0.50) PTPN11MAPTLMNAHTTALDH1A1
SCHEMBL9608414 0.89 PTPN11 (0.48) PTPN11MAPTNPSR1MEN1KMT2A
SCHEMBL10090891 0.89 PTPN11 (0.52) PTPN11LMNAPDK2NR5A1CNR1
SCHEMBL31425691 0.89 PTPN11 (0.52) PTPN11LMNAPDK2NR5A1CNR1
SCHEMBL5550301 0.89 PTPN11 (0.52) PTPN11LMNAPDK2NR5A1CNR1
SCHEMBL1630438 0.89 PTPN11 (0.52) PTPN11LMNAPDK2NR5A1CNR1

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-3812421-A1 PROTECTION FILM AND SHEET Toppan Printing Co., Ltd. (JP) 2021-04-28 EP disclosed