SCHEMBL9759851

SCHEMBL9759851

CCN(CC)CCNc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
APP P05067 1/20 0.56
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 2/20 0.51
ALPG P10696 1/20 0.51
ALDH1A1 P00352 1/20 0.47
HTR6 P50406 1/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
KAT2B Q92831 1/20 0.45
PRMT5 O14744 1/20 0.45

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 SCHEMBL9759845 0.99 MAPT (0.55) MAPTAPPLMNASMN1; SMN2TDP1
SCHEMBL9760548 0.94 MAPT (0.63) MAPTAPPLMNASMN1; SMN2TDP1
SCHEMBL9725384 0.87 ALDH1A1 (0.56) MAPTAPPLMNASMN1; SMN2TDP1
SCHEMBL4980649 0.84 SIRT5 (0.54) MAPTAPPLMNASMN1; SMN2TDP1
SCHEMBL762553 0.84 SMN1; SMN2 (0.60) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL2013684 0.82 SMN1; SMN2 (0.60) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL4981533 0.82 SIRT5 (0.55) MAPTAPPLMNASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL9760520 0.82 SMN1; SMN2 (0.55) MAPTAPPLMNASMN1; SMN2TDP1
SCHEMBL17749591 0.82 MAPT (0.61) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL10580319 0.81 MAPT (0.58) MAPTLMNASMN1; SMN2TDP1ALPG

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