SCHEMBL9313680

SCHEMBL9313680

CCCN(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
CNR2 P34972 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KCNA5 P22460 2/20 0.40
KCNN4 O15554 1/20 0.40
ESR1 P03372 1/20 0.40
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9313842 0.85 TSHR (0.50) TP53CNR2MEN1KMT2AHTT
SCHEMBL9314442 0.85 NPSR1 (0.44) MEN1KMT2ANPSR1HTTTSHR
Hydrochloric Acid SCHEMBL9314513 0.84 TSHR (0.48) TP53CNR2MEN1KMT2AHTT
SCHEMBL9313624 0.84 ALDH1A1 (0.40) MEN1KMT2ANPSR1HTTALDH1A1
SCHEMBL9313422 0.82 ADRA2C (0.39) MEN1KMT2ANPSR1HTTALDH1A1
SCHEMBL9315578 0.81 NPSR1 (0.39) TP53NPSR1TSHRALDH1A1L3MBTL1
SCHEMBL9315167 0.79 SMN1; SMN2 (0.56) TP53TSHRALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL411733 0.78 TSHR (0.52) TP53CNR2MEN1KMT2ANPSR1
SCHEMBL9314796 0.78 MTNR1A (0.60) MEN1KMT2AHTTL3MBTL1SMN1; SMN2
SCHEMBL2985617 0.76 NPSR1 (0.42) MEN1KMT2ANPSR1HTTTSHR

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-5315035-A Hydrogen peroxide detection BOEHRINGER MANNHEIM GMBH (DE) 1994-05-24 US claimed