SCHEMBL4727601

SCHEMBL4727601

O=C(O)c1cc(N2CCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRB1 P08588 1/20 0.47
XPO1 O14980 1/20 0.46
CYP3A4 P08684 3/20 0.45
FFAR4 Q5NUL3 3/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ERAP1 Q9NZ08 2/20 0.43
CES2 O00748 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.42

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
SCHEMBL4726103 0.98 HPGD (0.51) HPGDHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL1420480 0.97 HPGD (0.50) HPGDHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL12552629 0.86 L3MBTL3 (0.49) HPGDHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL20577868 0.86 ADRB1 (0.44) HPGDHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL1225981 0.86 KMO (0.56) ALDH1A1ADRB1XPO1CYP3A4FFAR4
SCHEMBL502328 0.86 DDR1 (0.49) ALDH1A1ADRB1XPO1CYP3A4FFAR4
SCHEMBL12552645 0.85 L3MBTL3 (0.48) ALDH1A1FFAR4
SCHEMBL1420647 0.85 L3MBTL3 (0.48) ALDH1A1XPO1FFAR4
SCHEMBL20577787 0.85 CSF1R (0.48) ALDH1A1MEN1KMT2AADRB1XPO1
Hydrochloric Acid SCHEMBL397746 0.85 DDR1 (0.48) ALDH1A1ADRB1XPO1CYP3A4FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed