SCHEMBL28080217

SCHEMBL28080217

CC(C)(C)SN=Cc1cc(Cl)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 7/20 0.38
CCR5 P51681 1/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 11/20 0.34
MEN1 O00255 8/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 4/20 0.34
LMNA P02545 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALPG P10696 1/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL28080254 0.81 MAPT (0.50) HPGDMAPTHTTKMT2AMEN1
SCHEMBL22450458 0.81 MAPT (0.50) HPGDMAPTHTTKMT2AMEN1
SCHEMBL19634050 0.79 KDM4E (0.41) HPGDTSHRMAPTKMT2AMEN1
SCHEMBL16796947 0.76 TSHR (0.38) HPGDTSHRMAPTCCR5HTT
SCHEMBL16796949 0.76 TSHR (0.38) HPGDTSHRMAPTCCR5HTT
SCHEMBL28266838 0.74 ALDH1A1 (0.38) MAPTHTTKMT2AMEN1GAA
SCHEMBL12352378 0.73 KMT2A (0.40) HPGDTSHRMAPTHTTKMT2A
SCHEMBL30480709 0.72 ERN1 (0.47) HPGDTSHRMAPTHTTKMT2A
SCHEMBL16954082 0.72 TSHR (0.41) HPGDTSHRMAPTCCR5HTT
SCHEMBL613846 0.72 ERN1 (0.47) HPGDTSHRMAPTHTTKMT2A

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
CN-105814048-B Fused tricyclic benzimidizole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-03-27 CN disclosed
CN-105814048-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed