SCHEMBL7782483

SCHEMBL7782483

CCS(=O)(=O)N[C@H](C(=O)NCCc1ccc(OC(CCc2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)c(OC)c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGER1 P34995 2/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CTSD P07339 1/20 0.40
TSHR P16473 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KMT2A Q03164 3/20 0.39
PPARA Q07869 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 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
SCHEMBL6554629 0.86 KDM4E (0.50) KDM4ETDP1PTGER1LMNASMN1; SMN2
SCHEMBL6554633 0.86 KDM4E (0.50) KDM4ETDP1PTGER1LMNASMN1; SMN2
SCHEMBL7605247 0.76 MTNR1A (0.56) LMNASMN1; SMN2TSHRKMT2AMEN1
SCHEMBL6553382 0.74 SMN1; SMN2 (0.50) LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6553375 0.74 SMN1; SMN2 (0.50) LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6555077 0.73 ALDH1A1 (0.46) LMNASMN1; SMN2TSHRKMT2AMEN1
SCHEMBL6554892 0.73 SMN1; SMN2 (0.47) LMNASMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7612458 0.73 SMN1; SMN2 (0.47) LMNASMN1; SMN2TSHRKMT2AMEN1
SCHEMBL6555072 0.73 ALDH1A1 (0.46) LMNASMN1; SMN2TSHRKMT2AMEN1
SCHEMBL6554873 0.73 SMN1; SMN2 (0.48) LMNASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135369-A2 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES Syngenta Participations AG (CH) 2001-09-26 EP disclosed
WO-2000032569-A2 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-06-08 WO disclosed