SCHEMBL5319581

SCHEMBL5319581

Cc1nc2c(Cc3ccccc3)c(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MME P08473 1/20 0.40
DHODH Q02127 5/20 0.39
ALKBH3 Q96Q83 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GRIN2B Q13224 1/20 0.37
DCTPP1 Q9H773 1/20 0.37

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
SCHEMBL11046199 0.80 HTT (0.38) HTTOPRM1OPRD1ALDH1A1MAPT
SCHEMBL8539087 0.72 GRIN1 (0.40) DHODHDRD2DRD4DRD3GRIN2B
SCHEMBL20309767 0.72 HTT (0.59) HTTDHODHGAAALDH1A1SMN1; SMN2
SCHEMBL27922695 0.69 SIRT1 (0.42) OPRM1OPRD1GAAMEN1ALDH1A1
SCHEMBL6697342 0.69 DRD2 (0.50) DHODHALKBH3GAAMEN1ALDH1A1
SCHEMBL29067648 0.69 TYMP (0.38) OPRM1OPRD1GAAMEN1ALDH1A1
SCHEMBL20535512 0.67 RHEB (0.67) HTTDHODHALDH1A1MAPTSMN1; SMN2
SCHEMBL10814670 0.66 L3MBTL1 (0.46) OPRM1OPRD1MEN1ALDH1A1MAPT
SCHEMBL13754917 0.66 GAA (0.50) HTTGAAMEN1ALDH1A1MAPT
SCHEMBL9043260 0.66 ALDH1A1 (0.47) HTTDHODHALDH1A1MAPTDRD2

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-2007100392-A2 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2007-09-07 WO disclosed