SCHEMBL27675101

SCHEMBL27675101

CCOc1ccc(NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
RXFP1 Q9HBX9 3/20 0.52
MAPT P10636 5/20 0.52
TP53 P04637 2/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CHRM1 P11229 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL27693551 0.88 NPC1 (0.49) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL27693499 0.86 CHRM1 (0.47) KMT2AMEN1MAPTCHRM1HPGD
SCHEMBL27693514 0.86 KMT2A (0.47) KMT2AMEN1RXFP1MAPTTP53
SCHEMBL27675310 0.85 CHRM1 (0.54) KMT2AMEN1MAPTCHRM1LMNA
SCHEMBL27693645 0.85 CHRM1 (0.54) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL27693487 0.85 LMNA (0.51) KMT2AMEN1ALDH1A1CHRM1HPGD
SCHEMBL27675112 0.85 TSHR (0.48) KMT2AMAPTTP53ALDH1A1CHRM1
SCHEMBL27693452 0.84 CHRM1 (0.49) KMT2AMEN1RXFP1MAPTTP53
SCHEMBL27693526 0.83 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1CHRM1
SCHEMBL28766931 0.82 CHRM1 (0.52) KMT2AMEN1MAPTNPC1CHRM1

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