SCHEMBL7059580

SCHEMBL7059580

C#Cc1ccc2nc(-c3ncc[nH]3)nc(NCCOC)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 13/20 0.43
▸ CYP3A4 P08684 13/20 0.43
▸ CLK4 Q9HAZ1 7/20 0.43
▸ CYP2C19 P33261 6/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 7/20 0.41
▸ CYP2D6 P10635 5/20 0.41
▸ TSHR P16473 4/20 0.41
▸ ALOX15 P16050 4/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7280290 0.78 GBA1 (0.58) CYP1A2CYP3A4CLK4CYP2C19HSD17B10
SCHEMBL7439916 0.73 KDM4E (0.45) CYP1A2CYP3A4CLK4HSD17B10KDM4E
SCHEMBL2804685 0.72 PDE5A (0.70) PDE5A
SCHEMBL7615723 0.69 LATS1 (0.66) MAPK1KDM4ETSHRALDH1A1MEN1
SCHEMBL7611242 0.66 GBA1 (0.62) CYP1A2CYP3A4CLK4KDM4ETSHR
SCHEMBL5081902 0.66 HTR3A (0.45) CYP1A2CYP3A4CYP2C19MAPK1HSD17B10
SCHEMBL432071 0.65 PDE5A (0.62) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3642126 0.63 SMPD3 (0.47) CYP1A2CYP3A4CYP2C19MAPK1KDM4E
SCHEMBL13975721 0.63 TLR7 (0.57) —
SCHEMBL7280666 0.63 HTT (0.44) CYP1A2CYP3A4CLK4CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307184-A2 DRUGS FOR INCONTINENCE NICOX S.A. (FR) 2003-05-07 — — EP claimed
WO-2002011707-A2 DRUGS FOR INCONTINENCE NICOX S.A. (FR) 2002-02-14 — — WO claimed
EP-1307184-A2 DRUGS FOR INCONTINENCE NICOX S.A. (FR) 2003-05-07 — — EP disclosed
WO-2002011707-A2 DRUGS FOR INCONTINENCE NICOX S.A. (FR) 2002-02-14 — — WO disclosed
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