SCHEMBL9760552

SCHEMBL9760552

COc1ccc([N+](=O)[O-])c(NCC(O)CN)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
MAPT P10636 8/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
ALPG P10696 1/20 0.45
DCTPP1 Q9H773 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KAT2B Q92831 1/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 1/20 0.43
MEN1 O00255 2/20 0.43

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
Hydrochloric Acid SCHEMBL9759792 0.99 SMN1; SMN2 (0.50) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL9499752 0.89 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL11049649 0.86 MAPT (0.59) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL21315653 0.83 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL29961863 0.83 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL111539 0.80 KAT2B (0.59) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL29392855 0.80 KAT2B (0.59) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL314657 0.80 SMN1; SMN2 (0.54) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL314658 0.80 SMN1; SMN2 (0.54) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL314659 0.80 SMN1; SMN2 (0.54) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3

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-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed