SCHEMBL20147198

SCHEMBL20147198

CC(C)(C)c1cc(C(C)(C)CN=O)c(O)cc1NC=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
ATP2A2 P16615 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP2A3 Q93084 1/20 0.34
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM5A P29375 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL12288085 0.83 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2KDM4EALOX15
SCHEMBL20147097 0.75 KDM5A (0.40) MAPTALDH1A1CYP1A2KDM4EALOX15
SCHEMBL6316378 0.68 ALDH1A1 (0.47) MAPTALDH1A1CYP1A2KDM4EALOX15
SCHEMBL17030224 0.67 ALDH1A1 (0.48) MAPTALDH1A1CYP1A2KDM4EALOX15
SCHEMBL20219195 0.65 ALOX15 (0.42) MAPTALDH1A1CYP1A2KDM4EALOX15
SCHEMBL28620707 0.63 KDM5A (0.55) MAPTALDH1A1CYP1A2KDM4EMAPK1
SCHEMBL10256830 0.63 ALDH1A1 (0.58) MAPTALDH1A1CYP1A2KDM4EALOX15
SCHEMBL24114961 0.62 ALOX15 (0.42) MAPTALDH1A1CYP1A2KDM4EALOX15
SCHEMBL29037593 0.61 ALDH1A1 (0.56) MAPTALDH1A1CYP1A2KDM4EALOX15
SCHEMBL11048618 0.61 MAPK1 (0.55) MAPTALDH1A1CYP1A2ALOX15MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408749-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2018-05-16 EP disclosed