SCHEMBL8481561

SCHEMBL8481561

COC(=O)c1ccccc1-n1c(Cl)nn(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.56
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.40
BRD4 O60885 1/20 0.40
ATM Q13315 1/20 0.40
F2 P00734 1/20 0.39
TP53 P04637 2/20 0.39
NR4A2 P43354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8484934 0.83 MYC (0.56) MYCTSHRSMN1; SMN2POLBLMNA
SCHEMBL8480846 0.80 ALDH1A1 (0.41) MYCTSHRPOLBLMNASLC6A4
SCHEMBL8104540 0.80 ALDH1A1 (0.33) MYCTSHRSMN1; SMN2POLBLMNA
SCHEMBL8593864 0.77 SMN1; SMN2 (0.47) TSHRSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL8590523 0.76 KDM4E (0.47) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL8097877 0.76 HTT (0.47) TSHRSMN1; SMN2POLBLMNAMEN1
SCHEMBL3330901 0.74 TSHR (0.76) MYCTSHRSMN1; SMN2POLBLMNA
SCHEMBL8597627 0.73
SCHEMBL15714477 0.72 MYC (1.00) MYCTSHRSMN1; SMN2POLBLMNA
SCHEMBL8155272 0.71 NPC1 (0.34) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962436-A AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-05 US disclosed
CN-1182423-A Fungicidal cyclic amides DU PONT (US) 1998-05-20 CN disclosed
EP-0810997-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-10 EP disclosed
WO-1996026191-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-29 WO disclosed