SCHEMBL6960415

SCHEMBL6960415

O=C=Nc1c(N2CCN(c3ccccc3)CC2)n[nH]c1-c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 4/20 0.46
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 3/20 0.46
SCD5 Q86SK9 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.43
THRB P10828 1/20 0.43
FLT3 P36888 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41

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
SCHEMBL6965770 0.83 MAPT (0.42) MAPTALDH1A1KDM4ELCKMAP4K3
SCHEMBL6966648 0.82 TP53 (0.41) MAPTALDH1A1LMNAHPGDNPC1
SCHEMBL6955336 0.81 POLB (0.42) MAPTALDH1A1HSD17B10NPC1RAB9A
SCHEMBL6961535 0.81 KIT (0.47) MAPTALDH1A1HSD17B10LMNAHPGD
SCHEMBL6956780 0.79 MAP4K1 (0.42) MAPTALDH1A1HSD17B10TSHRHPGD
SCHEMBL6956633 0.79 MAPT (0.44) MAPTALDH1A1HSD17B10LMNATSHR
SCHEMBL6966890 0.79 KIT (0.47) MAPTALDH1A1LMNATSHRHPGD
SCHEMBL6959773 0.77 KIT (0.38) MAPTALDH1A1HSD17B10LMNAHPGD
SCHEMBL6968664 0.77 MAP4K1 (0.46) MAPTALDH1A1HSD17B10LMNATSHR
SCHEMBL6954193 0.77 ALDH1A1 (0.44) MAPTALDH1A1HSD17B10LMNATSHR

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
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed