SCHEMBL874707

SCHEMBL874707

Cc1cc(C)nc(CC=O)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6505673 0.78 LMNA (0.39) HTTLMNAPOLBAPOBEC3GMAPT
SCHEMBL30307673 0.71 SLC6A3 (0.41) HTTLMNAALDH1A1KMT2AHSD17B10
SCHEMBL875422 0.71 NOS2 (0.40) LMNA
SCHEMBL5092348 0.71 LMNA (0.44) HTTLMNATSHRMAPTGAA
SCHEMBL6118354 0.70 ALDH1A1 (0.33) LMNAPOLBTSHRMAPTALDH1A1
SCHEMBL21326170 0.70 HTT (0.39) HTTLMNAPOLBALDH1A1CYP3A4
SCHEMBL2937637 0.69 HTT (0.48) HTTLMNAPOLBAPOBEC3GTSHR
SCHEMBL15058380 0.69 ALDH1A1 (0.36) LMNAMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL10225997 0.67 NPC1 (0.34) HTTLMNAPOLBTSHRMAPT
SCHEMBL11981610 0.67 HTT (0.52) HTTLMNAPOLBAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638011-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-09-18 EP disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
EP-0623125-A1 BRIDGED HETEROCYCLIC FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-09 EP disclosed