SCHEMBL29047772

SCHEMBL29047772

COc1ccnc(C(=O)NC(C)C(=O)OC2CC2c2ccc(C(C)(C)C)cc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
POLB P06746 1/20 0.35
SLC6A2 P23975 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DHODH Q02127 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
FGFR2 P21802 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CACNA1I Q9P0X4 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
TP53 P04637 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
SCHEMBL29501742 1.00 HTT (0.35) HTTPOLBSLC6A2MAPTALDH1A1
SCHEMBL23680925 1.00 HTT (0.35) HTTPOLBSLC6A2MAPTALDH1A1
SCHEMBL29501778 0.86 SLC6A3 (0.36) HTTLMNASMN1; SMN2
SCHEMBL23680930 0.86 SLC6A3 (0.36) HTTLMNASMN1; SMN2
SCHEMBL23680931 0.81 NR3C2 (0.34) SLC6A2MAPT
SCHEMBL23680918 0.81 IDO1 (0.35) HTTSLC6A2MAPTLMNATP53
SCHEMBL29501811 0.81 NR3C2 (0.34) SLC6A2MAPT
SCHEMBL29501757 0.81 IDO1 (0.35) HTTSLC6A2MAPTLMNATP53
SCHEMBL20662030 0.77 NR1H4 (0.36) HTTMAPTALDH1A1LMNAGAA
SCHEMBL20892686 0.76 MEN1 (0.41) HTTMAPTALDH1A1LMNASMN1; SMN2

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
CN-111344279-B Microbiocidal picolinamide derivatives 先正达参股股份有限公司 2023-07-07 CN disclosed