SCHEMBL27675381

SCHEMBL27675381

CC(C)c1ccc(NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CHRM1 P11229 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR6 P50406 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL27693510 0.92 CHRM1 (0.46) CFTRKMT2AMEN1GFERMAPT
SCHEMBL27693487 0.88 LMNA (0.51) KMT2AMEN1LMNAALDH1A1CHRM1
SCHEMBL27693452 0.87 CHRM1 (0.49) KMT2AMEN1MAPTLMNACHRM1
SCHEMBL28766931 0.87 CHRM1 (0.52) KMT2AMEN1MAPTLMNACHRM1
SCHEMBL27675140 0.85 ALDH1A1 (0.40) CFTRKMT2AMEN1GFERMAPT
SCHEMBL27675384 0.84 CHRM1 (0.49) KMT2AMEN1LMNAALDH1A1CHRM1
SCHEMBL28766934 0.84 CFTR (0.48) CFTRMAPTLMNACHRM1KDM4E
SCHEMBL27693645 0.84 CHRM1 (0.54) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL27675310 0.84 CHRM1 (0.54) CFTRKMT2AMEN1MAPTLMNA
SCHEMBL27675125 0.82 CFTR (0.47) CFTRKMT2AMEN1MAPTLMNA

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
CN-101006076-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2010-09-29 CN disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed