SCHEMBL27675310

SCHEMBL27675310

CCc1ccc(NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.54
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN5 P54829 1/20 0.48
CFTR P13569 1/20 0.48
MAOB P27338 1/20 0.48
CREBBP Q92793 1/20 0.47
MAPT P10636 3/20 0.46
THRB P10828 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
SCHEMBL27675257 0.89 CHRM1 (0.55) CHRM1LMNA
SCHEMBL27693592 0.89 CHRM1 (0.51) CHRM1LMNAPOLBKMT2A
SCHEMBL27693645 0.88 CHRM1 (0.54) CHRM1LMNAMEN1POLBKMT2A
SCHEMBL27693487 0.88 LMNA (0.51) CHRM1LMNAMEN1POLBKMT2A
SCHEMBL27693452 0.87 CHRM1 (0.49) CHRM1LMNAMEN1KMT2AMAOB
SCHEMBL27675101 0.85 KMT2A (0.52) CHRM1LMNAMEN1KMT2AMAPT
SCHEMBL27675186 0.84 CFTR (0.52) CHRM1LMNAMEN1POLBKMT2A
SCHEMBL28766931 0.84 CHRM1 (0.52) CHRM1LMNAMEN1POLBKMT2A
SCHEMBL27675384 0.84 CHRM1 (0.49) CHRM1LMNAMEN1KMT2AMAOB
SCHEMBL28766934 0.84 CFTR (0.48) CHRM1LMNACFTRMAOBMAPT

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