SCHEMBL13005201

SCHEMBL13005201

CCN(CC)c1ccc2cc(-c3nc4ccc(/C=C/c5ccc(O)c(C(=O)O)c5)cc4[nH]3)c(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ POLB P06746 6/20 0.61
▸ TP53 P04637 5/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ HTT P42858 3/20 0.61
▸ USP2 O75604 3/20 0.61
▸ ATM Q13315 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ CASP1 P29466 1/20 0.61
▸ BRCA1 P38398 1/20 0.61
▸ CASP7 P55210 1/20 0.61
▸ HBB P68871 1/20 0.61
▸ PTK2B Q14289 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52

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
SCHEMBL12866069 0.88 MAPT (0.67) MAPTMEN1KMT2APOLBTP53
SCHEMBL12881126 0.86 ALDH1A1 (0.54) MAPTMEN1KMT2APOLBTP53
SCHEMBL12881123 0.85 MAPT (0.59) MAPTMEN1KMT2APOLBTP53
SCHEMBL12866161 0.84 MAPT (0.66) MAPTMEN1KMT2APOLBTP53
SCHEMBL12881127 0.83 ALDH1A1 (0.62) MAPTMEN1KMT2ATP53NPC1
SCHEMBL22371437 0.82 MAPT (0.71) MAPTMEN1KMT2APOLBTP53
SCHEMBL13016931 0.79 MAPT (0.56) MAPTMEN1KMT2APOLBTP53
SCHEMBL22371436 0.77 MAPT (0.71) MAPTMEN1KMT2APOLBTP53
SCHEMBL20698573 0.76 MAPT (0.70) MAPTMEN1KMT2APOLBTP53
SCHEMBL180716 0.76 MAPT (1.00) MAPTMEN1KMT2APOLBTP53

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-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 — — US disclosed
Send feedback