SCHEMBL19752016

SCHEMBL19752016

C=CN(/C=C\C)CCCN1C(=O)NC(=O)C1c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
QPCT Q16769 1/20 0.36
MDM2 Q00987 5/20 0.34
TP53 P04637 4/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SETDB1 Q15047 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL19752032 0.87 ACHE (0.40) ACHEQPCTMDM2TP53USP2
SCHEMBL1713661 0.70 QPCT (0.41) ACHEQPCTMDM2TP53USP2
SCHEMBL1713833 0.69 QPCT (0.41) ACHEQPCTMDM2TP53CCR1
SCHEMBL466453 0.69 TP53 (0.48) MDM2TP53TSHRALDH1A1
SCHEMBL5562887 0.62 HTT (0.43) ACHEHTTMAPTCACNA1FCACNA1D
SCHEMBL8566011 0.61 MEN1 (0.61) ACHETP53LMNA
SCHEMBL10688067 0.57 GAA (0.55) LMNATSHRALOX15ALDH1A1HPGD
SCHEMBL2984488 0.57 QPCT (0.37) QPCTTSHRALDH1A1HPGD
SCHEMBL25420635 0.56 LMNA (0.44) QPCTLMNAMAPTNPSR1ALDH1A1
SCHEMBL11523039 0.56 MEN1 (0.63) TP53MAPTTSHR

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
EP-2344158-B1 USE OF ISOQC INHIBITORS PROBIODRUG AG (DE) 2017-12-27 EP disclosed