SCHEMBL29480433

SCHEMBL29480433

C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSS P25774 4/20 0.50
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL29480432 1.00 CTSK (0.50) CTSKCTSSGABRB1GABRB2CTSL
SCHEMBL13567835 0.87 CTSK (0.53) CTSKCTSSGABRB1GABRB2CTSL
SCHEMBL14820895 0.81 CTSK (0.57) CTSKCTSSGABRB1GABRB2CTSL
SCHEMBL7369435 0.80 CTSK (0.52) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL18989601 0.80 CTSK (0.51) CTSKCTSSGABRB1GABRB2CTSL
SCHEMBL18989589 0.80 CTSK (0.51) CTSKCTSSGABRB1GABRB2CTSL
SCHEMBL14846899 0.80 CTSK (0.48) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL5990989 0.80 CTSK (0.48) CTSKCTSSGABRB1GABRB2CTSL
SCHEMBL30064694 0.78 CTSK (0.56) CTSKCTSSKMT2AMAPTMEN1
SCHEMBL19192563 0.77 ATM (0.55) CTSKCTSSCTSLCTSBKMT2A

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
WO-2022058877-A1 NOVEL PICOLINAMIDE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LIMITED (IN) 2022-03-24 WO disclosed