SCHEMBL4728265

SCHEMBL4728265

O=C(O)c1cc(F)cc(N2CCSCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.53
HCAR1 Q9BXC0 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMO O15229 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ENPP2 Q13822 2/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
LGMN Q99538 1/20 0.36
NSD2 O96028 1/20 0.35
G6PD P11413 1/20 0.35
KEAP1 Q14145 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
SCHEMBL594366 0.85 ALDH1A1 (0.57) TTRHCAR1KDM4EALDH1A1HPGD
SCHEMBL594127 0.83 KDM4E (0.56) TTRHCAR1KDM4EALDH1A1HPGD
SCHEMBL592613 0.83 KDM4E (0.56) TTRHCAR1KDM4EALDH1A1HPGD
SCHEMBL19404305 0.81 TTR (0.56) TTRHCAR1KDM4EALDH1A1HPGD
SCHEMBL593762 0.81 KMO (0.60) TTRHCAR1ALDH1A1HPGDKMO
SCHEMBL593990 0.81 TTR (0.53) TTRHCAR1KDM4EALDH1A1HPGD
SCHEMBL30853515 0.80 LGMN (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL20577868 0.80 ADRB1 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL593527 0.78 USP2 (0.60) TTRHCAR1KDM4EALDH1A1HPGD
SCHEMBL28587988 0.77 ALDH1A1 (0.38) TTRKDM4EALDH1A1HPGDMEN1

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed