SCHEMBL5813565

SCHEMBL5813565

CN(C)N=C1C=C(F)C(NC(=O)C(c2ccccc2)N(C(=O)Nc2ccccc2)c2ccc(Cl)cc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPY5R Q15761 2/20 0.35
THRB P10828 2/20 0.34
MTOR P42345 1/20 0.34
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KLK7 P49862 2/20 0.32
CNR1 P21554 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL5813659 0.92 ALDH1A1 (0.37) ALDH1A1GAAMAPTNPC1ALOX15
SCHEMBL5818284 0.83 ALDH1A1 (0.35) ALDH1A1GAAMAPTNPC1ALOX15
SCHEMBL5813569 0.82 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPC1ALOX15
SCHEMBL3557282 0.80 UTS2R (0.40) ALDH1A1MAPTSMN1; SMN2NPY5RKDM4E
SCHEMBL3570566 0.72 MAPT (0.41) ALDH1A1GAAMAPTNPC1SMN1; SMN2
SCHEMBL5819200 0.70 ALDH1A1 (0.56) ALDH1A1GAAMAPTNPC1ALOX15
SCHEMBL3564011 0.70 UTS2R (0.38) ALDH1A1GAAMAPTSMN1; SMN2NPY5R
SCHEMBL5818286 0.69 ALDH1A1 (0.37) ALDH1A1GAAMAPTNPC1ALOX15
SCHEMBL3563314 0.69 UTS2R (0.38) ALDH1A1MAPTCNR1
SCHEMBL3573295 0.69 CNR1 (0.39) ALDH1A1MAPTSMN1; SMN2NPY5RKDM4E

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