SCHEMBL14829985

SCHEMBL14829985

COc1c(C(=O)N(C)CCCc2ccccc2C(F)(F)F)c2cc(I)ccc2[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
AR P10275 5/20 0.34
ACHE P22303 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TACR1 P25103 1/20 0.33
POLQ O75417 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DAO P14920 1/20 0.33
ALOX5 P09917 1/20 0.33
BCHE P06276 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL14829870 0.88 SLC6A4 (0.38) SLC6A4ARACHEKDM4EMEN1
SCHEMBL14829948 0.73 LIPG (0.46) KDM4EMEN1KMT2AMAPTRXFP1
SCHEMBL16632927 0.67 ALDH1A1 (0.47) ARKDM4EMEN1KMT2AMAPT
SCHEMBL14848288 0.66 LIPG (0.47) KDM4ETP53MAPTALDH1A1
SCHEMBL15978949 0.64 LIPG (0.48) KDM4EMEN1KMT2ATP53MAPT
SCHEMBL15970555 0.62 LIPG (0.44) KDM4EMEN1KMT2A
SCHEMBL14318120 0.58 ALDH1A1 (0.58) ACHEKDM4EMEN1KMT2AMAPT
SCHEMBL1043968 0.57 HDAC1 (0.51) ARKDM4EMEN1KMT2APOLQ
SCHEMBL3715319 0.57 EGFR (0.44) ARKDM4EKMT2ADAOALDH1A1
SCHEMBL12016034 0.57 IDO1 (0.49) SLC6A4KDM4EMEN1KMT2APOLQ

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
EP-2760840-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013048942-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed