SCHEMBL7058155

SCHEMBL7058155

Cc1nc(-c2ccccc2N)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ NPC1 O15118 6/20 0.50
▸ GAA P10253 4/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ IDO1 P14902 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38

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
SCHEMBL7139471 0.79 DCUN1D1 (0.49) KDM4ENPC1GAAHSD17B10IDO1
SCHEMBL19029698 0.78 IDO1 (0.44) KDM4ENPC1GAAHSD17B10IDO1
SCHEMBL18770391 0.78 ADORA3 (0.42) KDM4EALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL11960986 0.76 PDGFRB (0.47) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1208150 0.75 ALDH1A1 (0.48) KDM4ENPC1GAAHSD17B10IDO1
SCHEMBL16481851 0.75 HSP90AA1 (0.50) KDM4EGAAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL16481863 0.74 HSD11B1 (0.47) HSD17B10TDP1AR
SCHEMBL11626478 0.74 IDO1 (0.41) KDM4ENPC1GAAHSD17B10IDO1
SCHEMBL14300518 0.73 CYP1A2 (0.46) KDM4ENPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL1008901 0.72 MEN1 (0.46) KDM4ENPC1GAAALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307431-A2 EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES Bristol-Myers Squibb Pharma Company (US) 2003-05-07 — — EP disclosed
WO-2002008199-A2 EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-31 — — WO disclosed
WO-1989004845-A1 NITROGEN-CONTAINING ESTERS OF CARBOXY-CONTAINING INTERPOLYMERS THE LUBRIZOL CORPORATION (US) 1989-06-01 — — WO disclosed
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