SCHEMBL27675189

SCHEMBL27675189

O=C(O)c1cn(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
CREBBP Q92793 1/20 0.48
GRIN2B Q13224 1/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
P2RX1 P51575 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
SCHEMBL27675219 0.88 MAOB (0.48) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL27675315 0.87 MEN1 (0.44) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL27693544 0.86 CREBBP (0.42) MEN1KMT2AHTTCREBBPLMNA
SCHEMBL27693487 0.85 LMNA (0.51) MEN1KMT2AHTTCREBBPLMNA
SCHEMBL27675110 0.84 CHRM1 (0.46) MEN1KMT2AHTTCREBBPLMNA
SCHEMBL27675195 0.84 CFD (0.49)
SCHEMBL27693567 0.84 CREBBP (0.47) GRIK1CREBBPLMNA
SCHEMBL27675196 0.83 CREBBP (0.52) MEN1KMT2ARAB9ACREBBPLMNA
SCHEMBL27675227 0.83 CFTR (0.48) CREBBPLMNA
SCHEMBL27693586 0.83 MAOB (0.60) GRIK1MEN1KMT2AMAPTHTT

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