SCHEMBL20180267

SCHEMBL20180267

Cc1c(-c2ccccc2Cl)c2ccc(C=O)cc2n1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 11/20 0.51
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
RORC P51449 1/20 0.35
PTGS2 P35354 1/20 0.35
CENPE Q02224 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
SCHEMBL20180580 0.78 DGAT2 (0.64) DGAT2
SCHEMBL20180369 0.77 DGAT2 (0.52) DGAT2ALDH1A1RORC
SCHEMBL20180640 0.76 DGAT2 (0.57) DGAT2TP53
SCHEMBL20180361 0.67 DGAT2 (0.52) DGAT2
SCHEMBL15615074 0.66 KDM4E (0.60) ALDH1A1KMT2A
SCHEMBL20166273 0.65 DGAT2 (0.63) DGAT2KMT2ARORC
SCHEMBL20526641 0.65 JAK2 (0.48) ALDH1A1LMNA
SCHEMBL13652592 0.64 ALDH1A1 (0.46) ALDH1A1KMT2AHSD11B1
SCHEMBL5896326 0.64 ALDH1A1 (0.46) ALDH1A1KMT2APTGS2
SCHEMBL21890268 0.64 KDM4E (0.56) ALDH1A1KMT2A

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
WO-2018093698-A1 INDOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed