SCHEMBL6142287

SCHEMBL6142287

CC(O)N(c1ccc(NCCN)c([N+](=O)[O-])c1)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KAT2B Q92831 4/20 0.51
MAPT P10636 5/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PRSS1 P07477 4/20 0.47
UBE2N P61088 1/20 0.45
CYP2D6 P10635 1/20 0.45
HCAR3 P49019 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL28279491 0.89 ALDH1A1 (0.67) ALDH1A1TSHRTDP1KAT2BMAPT
SCHEMBL5552716 0.88 ALDH1A1 (0.58) ALDH1A1TSHRTDP1KAT2BMAPT
SCHEMBL3093532 0.85 HCAR3 (0.60) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL2472960 0.83 MAPT (0.58) ALDH1A1TSHRTDP1KAT2BMAPT
SCHEMBL1885551 0.80 HCAR3 (0.48) ALDH1A1TSHRTDP1MAPTKMT2A
SCHEMBL111343 0.79 ALDH1A1 (0.83) ALDH1A1TSHRTDP1KAT2BMAPT
SCHEMBL2415389 0.78 ALDH1A1 (0.53) ALDH1A1KAT2BMAPTKMT2ALMNA
SCHEMBL9245595 0.77 ALDH1A1 (0.55) ALDH1A1TSHRTDP1KAT2BMAPT
Iodide SCHEMBL8985637 0.76 HCAR3 (0.44) ALDH1A1TSHRTDP1KAT2BMAPT
SCHEMBL11311522 0.76 ALDH1A1 (0.49) ALDH1A1TDP1MAPTKMT2ALMNA

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-1492494-A1 METHOD FOR TREATING HAIR WITH FORM MEMORY POLYMERS Mnemoscience GmbH (DE) 2005-01-05 EP disclosed
WO-2003084491-A1 METHOD FOR TREATING HAIR WITH FORM MEMORY POLYMERS MNEMOSCIENCE GMBH (DE) 2003-10-16 WO disclosed