SCHEMBL5818281

SCHEMBL5818281

O=C(NC1C=C/C(=N\N2CCC2)C=C1F)C(c1ccccc1)N(C(=O)Nc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 3/20 0.34
IDO1 P14902 1/20 0.33
KLK7 P49862 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CCR5 P51681 1/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 1/20 0.32
CCR1 P32246 3/20 0.31
ALOX15 P16050 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
SCHEMBL3565830 0.88 CHRM2 (0.31)
SCHEMBL3569297 0.87 CHRM2 (0.31) LMNAALDH1A1
SCHEMBL3566271 0.78 MAPT (0.31) MAPT
SCHEMBL5818284 0.77 ALDH1A1 (0.35) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5818286 0.75 ALDH1A1 (0.37) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3563083 0.74 CHRM2 (0.34) ALDH1A1
SCHEMBL3573292 0.73 TRPM8 (0.33) ALDH1A1
SCHEMBL3557277 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3556129 0.73 CHRM2 (0.33) LMNAALDH1A1
SCHEMBL5803044 0.68 KMT2A (0.35) MAPTKDM4EHPGD

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