SCHEMBL5822982

SCHEMBL5822982

CN1CCN=C1c1ccc(NC(=O)C(c2cccs2)N(C(=O)Nc2ccccc2)c2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.38
THRB P10828 3/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.37
CCR5 P51681 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL3569479 0.90 MAPT (0.43) MAPTKDM4ELMNAHTTTHRB
SCHEMBL5822984 0.83 MAPT (0.38) MAPTKDM4ELMNAHTTTHRB
SCHEMBL3566847 0.82 MAPT (0.35) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL3570706 0.82 F10 (0.40) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL3573941 0.80 SMN1; SMN2 (0.34) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL3569482 0.79 RAB9A (0.42) MAPTKDM4EHTTALDH1A1L3MBTL1
SCHEMBL3561242 0.73 F10 (0.39) MAPTKDM4ETHRBSMN1; SMN2ALDH1A1
SCHEMBL3565023 0.71 F10 (0.43) MAPTKDM4EALDH1A1TDP1
SCHEMBL3570709 0.71 HTT (0.42) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL3566849 0.71 HTT (0.41) MAPTLMNAHTTSMN1; SMN2ALDH1A1

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-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed