SCHEMBL4070310

SCHEMBL4070310

Cc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(C(C)(C)N)c32)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.49
PKM P14618 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
CLK1 P49759 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MCL1 Q07820 1/20 0.33
POLB P06746 1/20 0.30

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
SCHEMBL4066997 0.91 HTT (0.54) HTTALDH1A1MAPTLMNAPKM
SCHEMBL4063361 0.89 ALDH1A1 (0.64) HTTALDH1A1MAPTLMNAPKM
SCHEMBL4239438 0.82 MAPT (0.49) HTTALDH1A1MAPTLMNAPKM
SCHEMBL4067979 0.78 HTT (0.64) HTTALDH1A1MAPTLMNAPKM
SCHEMBL4281505 0.76 ALDH1A1 (1.00) HTTALDH1A1MAPTLMNAPKM
SCHEMBL4244216 0.73 MAPT (0.60) HTTALDH1A1MAPTLMNAPKM
SCHEMBL4241354 0.72 ALDH1A1 (0.49) HTTALDH1A1MAPTLMNAPKM
SCHEMBL4066988 0.70 HTT (1.00) HTTALDH1A1MAPTLMNAPKM
SCHEMBL4063391 0.67 ALDH1A1 (0.41) HTTALDH1A1MAPTLMNANPSR1
SCHEMBL4286778 0.67 ALDH1A1 (0.83) HTTALDH1A1MAPTLMNAPKM

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
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed
US-20070128669-A1 Serum-free expansion of cells in culture INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-06-07 US disclosed