SCHEMBL11512136

SCHEMBL11512136

N#CCC(=O)O.NC1=NCCS1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
NOS2 P35228 2/20 0.53
GABRA5 P31644 4/20 0.33
GABRB2 P47870 4/20 0.33
GABRA1 P14867 3/20 0.33
GABRR1 P24046 3/20 0.33
GABRA4 P48169 3/20 0.33
SLC6A12 P48065 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
Acetic Acid SCHEMBL5037744 0.76 NOS3 (0.70) NOS3NOS1NOS2GABRA5GABRB2
Formic Acid SCHEMBL27456030 0.70
Hydrazine SCHEMBL27939063 0.69
Hydroxyamine SCHEMBL1343716 0.69
SCHEMBL27567423 0.68 MCL1 (0.53) MCL1ALDH1A1LMNAMAPTTSHR
SCHEMBL16130 0.68
SCHEMBL30536998 0.68
SCHEMBL30022145 0.68
Trimethylammonium SCHEMBL27589215 0.67 NOS3 (0.84) NOS3NOS1NOS2
Cyclohexane SCHEMBL11783096 0.66 MCL1 (0.46) MCL1ALDH1A1LMNAMAPTGAA

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-4133687-A Photographic elements having hydrophilic colloid layers containing compounds having activator precursors and hydrophobic developing agents uniformly loaded in latex polymer particles EASTMAN KODAK COMPANY (US) 1979-01-09 US disclosed
US-4012260-A THIAZOLINIUM COMPOUNDS EASTMAN KODAK COMPANY (US) 1977-03-15 US disclosed