SCHEMBL27675196

SCHEMBL27675196

CC(=O)Nc1cccc(NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.52
EP300 Q09472 1/20 0.52
MAOB P27338 3/20 0.47
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK10 P53779 1/20 0.42
HTR6 P50406 1/20 0.42
CHRM1 P11229 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 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
SCHEMBL27693516 0.90 CREBBP (0.61) CREBBPEP300MAOBPOLBMEN1
SCHEMBL27693487 0.88 LMNA (0.51) CREBBPEP300MAOBLMNAPOLB
SCHEMBL27693567 0.87 CREBBP (0.47) CREBBPEP300MAOBLMNACHRM1
SCHEMBL27675183 0.87 CREBBP (0.46) CREBBPEP300MAOBLMNAHTR6
SCHEMBL27675148 0.87 CREBBP (0.45) CREBBPEP300MAOBPOLBMEN1
SCHEMBL27675227 0.86 CFTR (0.48) CREBBPEP300MAOBLMNAHTR6
SCHEMBL27693586 0.86 MAOB (0.60) CREBBPEP300MAOBLMNAMEN1
SCHEMBL27693520 0.85 CASP3 (0.52) CREBBPEP300POLBMEN1KMT2A
SCHEMBL27675233 0.85 MEN1 (0.49) CREBBPEP300MAOBLMNAMEN1
SCHEMBL27675135 0.85 CREBBP (0.54) CREBBPEP300MAOBLMNAMEN1

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