SCHEMBL6186086

SCHEMBL6186086

C/C=C/C(=O)C(=O)Nc1ccc2[nH]c(C(=O)c3c(Cl)cccc3Cl)c(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
MAOB P27338 4/20 0.36
MAOA P21397 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.34
ESR1 P03372 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
EGFR P00533 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL6185251 0.80 HPGD (0.47) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL6187358 0.80 F2R (0.51) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL6185359 0.78 MAOA (0.48) SMN1; SMN2MAOBMAOAKDM4EALDH1A1
SCHEMBL6188736 0.78 MAOA (0.51) SMN1; SMN2MAOBMAOAKDM4EALDH1A1
SCHEMBL6185706 0.76 MAOB (0.42) MAPTLMNATHRBSMN1; SMN2KMT2A
SCHEMBL6187040 0.74 NGFR (0.42) MAPTLMNATHRBSMN1; SMN2KMT2A
SCHEMBL6480667 0.71 CHRNA7 (0.36) MAPTLMNATHRBSMN1; SMN2KMT2A
SCHEMBL6186247 0.70 ALDH1A1 (0.67) MAPTLMNAKMT2AMEN1HTT
SCHEMBL6185825 0.67 TYK2 (0.45) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL6189327 0.66 HPGD (0.46) MAPTLMNASMN1; 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-1554271-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2005-07-20 EP disclosed
WO-2004035571-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2004-04-29 WO disclosed