SCHEMBL9736799

SCHEMBL9736799

Nc1c2c(nc3ccc([N+](=O)[O-])cc13)CCCS2

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.69
APP P05067 3/20 0.47
BCHE P06276 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ADORA2A P29274 1/20 0.41

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
SCHEMBL5988415 0.82 ACHE (1.00) ACHEAPPBCHE
SCHEMBL10653085 0.79 ACHE (0.63) ACHEBCHEALDH1A1
SCHEMBL10651068 0.79 ACHE (0.63) ACHEBCHE
SCHEMBL10654149 0.79 ACHE (0.65) ACHEBCHETDP1
SCHEMBL9875274 0.79 ACHE (0.67) ACHEAPPBCHE
SCHEMBL9172013 0.75 ACHE (0.66) ACHEBCHEALDH1A1CYP3A4TSHR
SCHEMBL9209834 0.75 ACHE (0.59) ACHEAPPBCHEALDH1A1TDP1
SCHEMBL10651833 0.72 ACHE (0.41) ACHEBCHE
SCHEMBL10990085 0.71 ACHE (0.61) ACHEAPPBCHE
SCHEMBL9748628 0.71 ACHE (1.00) ACHEAPPBCHEALDH1A1CYP3A4

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-5112830-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 US claimed
US-5130386-A Reaction vessel with a coating of tannin and polymer on the interior and drying SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-07-14 US disclosed