SCHEMBL7984370

SCHEMBL7984370

CCCSc1nc2ccc(Br)cc2c(=O)n1CCC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
CACNA2D1 P54289 5/20 0.43
POLB P06746 1/20 0.43
PDE7A Q13946 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL7887739 0.87 PDE7A (0.53) ALDH1A1CACNA2D1PDE7A
SCHEMBL8423977 0.85 TDP1 (0.51) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8424795 0.85 TDP1 (0.51) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL9027995 0.82 TDP1 (0.73) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL12963478 0.80 MEN1 (0.52) ALDH1A1SMN1; SMN2CACNA2D1POLBTSHR
SCHEMBL8422380 0.80 TDP1 (0.49) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8423016 0.79 TDP1 (0.46) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8424708 0.79 TDP1 (0.46) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL31241091 0.79 CACNA2D1 (0.47) ALDH1A1LMNACACNA2D1POLB
SCHEMBL31241088 0.79 CACNA2D1 (0.48) ALDH1A1SMN1; SMN2CACNA2D1

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
US-6255311-B1 FOR PLANTS E. I. DU PONT DE NEMOURS AND COMPANY 2001-07-03 US claimed
US-6255311-B1 FOR PLANTS E. I. DU PONT DE NEMOURS AND COMPANY 2001-07-03 US disclosed
US-5945423-A FOR AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-08-31 US disclosed
US-5747497-A Fungicidal fused bicyclic pyrimidinones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-05 US disclosed
WO-1994026722-A1 FUNGICIDAL FUSED BICYCLIC PYRIMIDINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-24 WO disclosed