SCHEMBL9866432

SCHEMBL9866432

O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
MAPT P10636 4/20 0.68
LMNA P02545 4/20 0.68
NPSR1 Q6W5P4 2/20 0.68
ALDH1A1 P00352 5/20 0.65
HTT P42858 2/20 0.65
KDM4E B2RXH2 3/20 0.63
HSD17B10 Q99714 3/20 0.63
MAPK1 P28482 2/20 0.63
USP2 O75604 1/20 0.63
DRD4 P21917 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
ALOX15 P16050 2/20 0.57
TSHR P16473 1/20 0.57
TP53 P04637 1/20 0.55

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
SCHEMBL9865013 1.00 TDP1 (0.70) TDP1MAPTLMNANPSR1ALDH1A1
SCHEMBL9865921 1.00 TDP1 (0.70) TDP1MAPTLMNANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL9866120 0.99 MAPT (0.70) TDP1MAPTLMNANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL9865660 0.87 TDP1 (0.70) TDP1MAPTLMNANPSR1ALDH1A1
SCHEMBL12575384 0.84 MAPT (0.75) MAPTLMNANPSR1ALDH1A1HTT
SCHEMBL13719544 0.84 MAPT (0.75) MAPTLMNANPSR1ALDH1A1HTT
SCHEMBL10983422 0.80 ATM (0.74) TDP1MAPTLMNAALDH1A1HTT
SCHEMBL8434186 0.80 LMNA (0.75) TDP1MAPTLMNAALDH1A1HTT
SCHEMBL2019517 0.79 ADRB2 (0.72) MAPTLMNANPSR1ALDH1A1HTT
SCHEMBL2019520 0.79 ADRB2 (0.72) MAPTLMNANPSR1ALDH1A1HTT

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
US-4994459-A Aryloxypropane substituted piperazine derivatives with antiarrhythmic and antifibrillatory activity AMERICAN HOME PRODUCTS CORPORATION (US) 1991-02-19 US claimed
US-4994459-A Aryloxypropane substituted piperazine derivatives with antiarrhythmic and antifibrillatory activity AMERICAN HOME PRODUCTS CORPORATION (US) 1991-02-19 US disclosed