SCHEMBL9760033

SCHEMBL9760033

O=c1[nH]c(=O)c2ccc(Cc3ccccc3-n3ccnc3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
FGFR1 P11362 1/20 0.37
PARP1 P09874 2/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIK4 Q16099 1/20 0.37
GRIK5 Q16478 1/20 0.37
IDO1 P14902 1/20 0.36
FEN1 P39748 1/20 0.35
PDE4A P27815 2/20 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
SCHEMBL10582405 0.89 GAA (0.40) SIRT6FGFR1GRIK1GRIA1GRIA2
SCHEMBL9760013 0.78 ADORA3 (0.42) CA12CA9
SCHEMBL9194076 0.77 ROCK2 (0.42) PRMT5WDR77FGFR1PARP1CA12
SCHEMBL8916747 0.77 TBXAS1 (0.45) FGFR1CA12CA9IDO1MEN1
SCHEMBL9190610 0.76 HTR5A (0.38) FGFR1GRIK1GRIA1GRIA2GRIA3
SCHEMBL9285801 0.75 IP6K1 (0.51) PARP1CA12CA9CHEK1
SCHEMBL669278 0.74 KDM4E (0.46) PARP1KDM4EGRIK1GRIA1GRIA2
SCHEMBL9077581 0.73 IDO1 (0.47) FGFR1IDO1MEN1ALDH1A1LMNA
SCHEMBL9836179 0.73 IDO1 (0.53) IDO1MEN1ALDH1A1LMNACYP1A2
SCHEMBL9663508 0.72 IDO1 (0.37) FGFR1IDO1MEN1ALDH1A1LMNA

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
US-5037829-A Antitumor Activity; Androgen, Estrogen Inhibitors; Suppress The Plasma Elimination Of Retinoids JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-06 US disclosed