SCHEMBL10693170

SCHEMBL10693170

O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO.O=[N+]([O-])c1ccccc1NCCO

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.88
TSHR P16473 1/20 0.88
TDP1 Q9NUW8 1/20 0.88
PKM P14618 2/20 0.49
KAT2B Q92831 2/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL109266 0.94 ALDH1A1 (1.00) ALDH1A1TSHRTDP1PKMRAB9A
SCHEMBL29829407 0.94 ALDH1A1 (1.00) ALDH1A1TSHRTDP1PKMRAB9A
SCHEMBL8799830 0.88 ALDH1A1 (0.88) ALDH1A1TSHRTDP1PKMRAB9A
Hydrochloric Acid SCHEMBL8974864 0.87 ALDH1A1 (0.86) ALDH1A1TSHRTDP1PKMKAT2B
SCHEMBL210589 0.86 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMKAT2B
SCHEMBL8647818 0.86 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMKAT2B
SCHEMBL198602 0.86 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMKAT2B
SCHEMBL30808004 0.86 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMKAT2B
SCHEMBL8799187 0.86 ALDH1A1 (0.84) ALDH1A1TSHRTDP1PKMKAT2B
Hydrochloric Acid SCHEMBL30100543 0.85 ALDH1A1 (0.83) ALDH1A1TSHRTDP1PKMKAT2B

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-0260716-A1 A process for simultaneously waving and coloring hair Bristol-Myers Squibb Company (US) 1988-03-23 EP disclosed