SCHEMBL8644435

SCHEMBL8644435

Nc1c(NCCCO)ccc(CCO)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
BCL6 P41182 1/20 0.42
BCOR Q6W2J9 1/20 0.42
PRSS1 P07477 4/20 0.41
GSTM2 P28161 1/20 0.41
KAT2B Q92831 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL354095 0.79 TSHR (0.43) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL5710258 0.76 TSHR (0.44) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL10480614 0.76 ALDH1A1 (0.48) ALDH1A1BCL6BCORPRSS1GSTM2
SCHEMBL29377050 0.75 TSHR (0.40) ALDH1A1SMN1; SMN2HTT
SCHEMBL872694 0.75 TSHR (0.40) ALDH1A1SMN1; SMN2HTT
SCHEMBL4456705 0.74 ALDH1A1 (0.39) ALDH1A1KAT2BMAPTHTTLMNA
SCHEMBL27881224 0.74 TSHR (0.39) ALDH1A1MAPTHTTKMT2A
SCHEMBL1437068 0.74 TSHR (0.39) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL10577945 0.74 MEN1 (0.41) ALDH1A1BCL6BCORPRSS1GSTM2
SCHEMBL9771638 0.73 KAT2B (0.56) ALDH1A1BCL6BCORGSTM2KAT2B

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-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US disclosed