SCHEMBL27693452

SCHEMBL27693452

Cc1ccc(NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.49
MAOB P27338 3/20 0.47
MARK4 Q96L34 1/20 0.47
HTR6 P50406 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
BCHE P06276 1/20 0.43
NAMPT P43490 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
NPC1 O15118 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
SCHEMBL27693487 0.91 LMNA (0.51) CHRM1MAOBHTR6LMNASMN1; SMN2
SCHEMBL28766931 0.88 CHRM1 (0.52) CHRM1MAOBHTR6LMNAMAPT
SCHEMBL27675384 0.88 CHRM1 (0.49) CHRM1MAOBHTR6LMNASMN1; SMN2
SCHEMBL27693645 0.87 CHRM1 (0.54) CHRM1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL27675310 0.87 CHRM1 (0.54) CHRM1MAOBLMNAMAPTTHRB
SCHEMBL28766934 0.87 CFTR (0.48) CHRM1MAOBHTR6LMNAMAPT
SCHEMBL27675381 0.87 CFTR (0.48) CHRM1MAOBHTR6LMNAMAPT
SCHEMBL27693510 0.86 CHRM1 (0.46) CHRM1MAOBHTR6LMNAMAPT
SCHEMBL27675257 0.85 CHRM1 (0.55) CHRM1LMNAKDM4ENAMPT
SCHEMBL27693499 0.85 CHRM1 (0.47) CHRM1LMNAMAPTSMN1; SMN2MEN1

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