SCHEMBL28065181

SCHEMBL28065181

Cc1cc(C(F)(F)F)c(C(=O)OCl)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ASPH Q12797 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CES2 O00748 1/20 0.38
POLQ O75417 2/20 0.37
CFTR P13569 3/20 0.37
POLB P06746 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
GLA P06280 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL12302078 0.85 MAPT (0.55) MAPTMEN1KMT2AKDM4EPOLQ
SCHEMBL16454401 0.83 JUN (0.43) MAPTMEN1KMT2AASPHKDM4E
SCHEMBL13468557 0.83 KDM4E (0.56) MAPTGAAKDM4EGLA
SCHEMBL26333848 0.81 ASPH (0.41) MAPTMEN1KMT2AASPHGAA
SCHEMBL17816469 0.81 MAPT (0.41) MAPTMEN1KMT2AASPHKDM4E
SCHEMBL27743600 0.81 ASPH (0.43) MAPTMEN1KMT2AASPHGAA
SCHEMBL1105997 0.80 ASPH (0.54) KMT2AASPHKDM4ECES2GABRA5
SCHEMBL28183587 0.77 MAPT (0.44) MAPTMEN1KMT2AASPHNPSR1
SCHEMBL16454312 0.75 KMT2A (0.46) MEN1KMT2AASPHGAAKDM4E
SCHEMBL20320529 0.75 MAPT (0.45) MAPTASPHNPSR1CES2POLQ

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
CN-103269592-B Cyclic amine substituted oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-11 CN disclosed