SCHEMBL2457129

SCHEMBL2457129

Nc1ccc(C#Cc2nc3ccccc3[nH]2)cc1CCCF

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.42
ATP4B P51164 7/20 0.42
POLB P06746 1/20 0.36
TRPV1 Q8NER1 4/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MASP2 O00187 1/20 0.35
NUDT1 P36639 1/20 0.35
AOC3 Q16853 1/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL484346 0.74 BCHE (0.42) POLBTRPV1ALDH1A1MEN1KMT2A
SCHEMBL484407 0.73 ALDH1A1 (0.53) POLBTRPV1ALDH1A1MEN1KMT2A
SCHEMBL6209371 0.70 TRPV1 (0.51) POLBTRPV1ALDH1A1MEN1KMT2A
SCHEMBL21974450 0.69 ALDH1A1 (0.44) POLBTRPV1ALDH1A1MEN1KMT2A
SCHEMBL12403302 0.68 RAB9A (0.49) POLBTRPV1ALDH1A1MEN1KMT2A
SCHEMBL484268 0.65 SNCA (0.54) TRPV1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3081165 0.61 ALDH1A1 (0.54) POLBALDH1A1MEN1KMT2AMASP2
SCHEMBL2162639 0.61 ALDH1A1 (0.54) POLBALDH1A1MEN1KMT2AMASP2
SCHEMBL6474677 0.60 NPC1 (0.64) ATP4AATP4BALDH1A1MAPTSMN1; SMN2
SCHEMBL28127452 0.59 POLB (0.72) POLBNPC1RAB9APKMGAA

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
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed